(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid

C146H174BBr6ClF5N19O23 — CID 162179082

IUPAC(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid
SMILESCC(C)(C)OC(=O)N1CC(=O)C(F)C1.CC(C)(C)OC(=O)N1CC(F)C(NC2CN(C(=O)c3ccc(Br)cc3)C2)C1.CC(C)(C)OC(=O)NC1CN(C(=O)c2ccc(Br)cc2)C1.CC(C)(C)OC(=O)NC1CNC1.CO.Cc1cccc(-c2ccc(C(=O)N3CC(NC4CN(C(=O)c5ccccc5)CC4F)C3)cc2)c1.Cc1cccc(B(O)O)c1.NC1CN(C(=O)c2ccc(Br)cc2)C1.O=C(Cl)c1ccc(Br)cc1.O=C(O)c1ccccc1.O=C(c1ccc(Br)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2F)C1.O=C(c1ccc(Br)cc1)N1CC(NC2CNCC2F)C1
InChIInChI=1S/C28H28FN3O2.C21H21BrFN3O2.C19H25BrFN3O3.C15H19BrN2O3.C14H17BrFN3O.C10H11BrN2O.C9H14FNO3.C8H16N2O2.C7H9BO2.C7H4BrClO.C7H6O2.CH4O/c1-19-6-5-9-23(14-19)20-10-12-22(13-11-20)28(34)31-15-24(16-31)30-26-18-32(17-25(26)29)27(33)21-7-3-2-4-8-21;22-16-8-6-15(7-9-16)21(28)25-10-17(11-25)24-19-13-26(12-18(19)23)20(27)14-4-2-1-3-5-14;1-19(2,3)27-18(26)24-10-15(21)16(11-24)22-14-8-23(9-14)17(25)12-4-6-13(20)7-5-12;1-15(2,3)21-14(20)17-12-8-18(9-12)13(19)10-4-6-11(16)7-5-10;15-10-3-1-9(2-4-10)14(20)19-7-11(8-19)18-13-6-17-5-12(13)16;11-8-3-1-7(2-4-8)10(14)13-5-9(12)6-13;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;1-8(2,3)12-7(11)10-6-4-9-5-6;1-6-3-2-4-7(5-6)8(9)10;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-2/h2-14,24-26,30H,15-18H2,1H3;1-9,17-19,24H,10-13H2;4-7,14-16,22H,8-11H2,1-3H3;4-7,12H,8-9H2,1-3H3,(H,17,20);1-4,11-13,17-18H,5-8H2;1-4,9H,5-6,12H2;6H,4-5H2,1-3H3;6,9H,4-5H2,1-3H3,(H,10,11);2-5,9-10H,1H3;1-4H;1-5H,(H,8,9);2H,1H3
InChIKeyZOTXQDLZUQXUKE-UHFFFAOYSA-N
MW3183.79 g/mol
LogP19.81
Rot. Bonds22

About (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid

(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid (PubChem CID 162179082) has the molecular formula C146H174BBr6ClF5N19O23 and a molecular weight of 3183.79 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid
PubChem CID162179082
Molecular FormulaC146H174BBr6ClF5N19O23
Molecular Weight3183.79 g/mol
Exact Mass3175.78
IUPAC Name(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid
SMILESCC(C)(C)OC(=O)N1CC(=O)C(F)C1.CC(C)(C)OC(=O)N1CC(F)C(NC2CN(C(=O)c3ccc(Br)cc3)C2)C1.CC(C)(C)OC(=O)NC1CN(C(=O)c2ccc(Br)cc2)C1.CC(C)(C)OC(=O)NC1CNC1.CO.Cc1cccc(-c2ccc(C(=O)N3CC(NC4CN(C(=O)c5ccccc5)CC4F)C3)cc2)c1.Cc1cccc(B(O)O)c1.NC1CN(C(=O)c2ccc(Br)cc2)C1.O=C(Cl)c1ccc(Br)cc1.O=C(O)c1ccccc1.O=C(c1ccc(Br)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2F)C1.O=C(c1ccc(Br)cc1)N1CC(NC2CNCC2F)C1
InChIInChI=1S/C28H28FN3O2.C21H21BrFN3O2.C19H25BrFN3O3.C15H19BrN2O3.C14H17BrFN3O.C10H11BrN2O.C9H14FNO3.C8H16N2O2.C7H9BO2.C7H4BrClO.C7H6O2.CH4O/c1-19-6-5-9-23(14-19)20-10-12-22(13-11-20)28(34)31-15-24(16-31)30-26-18-32(17-25(26)29)27(33)21-7-3-2-4-8-21;22-16-8-6-15(7-9-16)21(28)25-10-17(11-25)24-19-13-26(12-18(19)23)20(27)14-4-2-1-3-5-14;1-19(2,3)27-18(26)24-10-15(21)16(11-24)22-14-8-23(9-14)17(25)12-4-6-13(20)7-5-12;1-15(2,3)21-14(20)17-12-8-18(9-12)13(19)10-4-6-11(16)7-5-10;15-10-3-1-9(2-4-10)14(20)19-7-11(8-19)18-13-6-17-5-12(13)16;11-8-3-1-7(2-4-8)10(14)13-5-9(12)6-13;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;1-8(2,3)12-7(11)10-6-4-9-5-6;1-6-3-2-4-7(5-6)8(9)10;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-2/h2-14,24-26,30H,15-18H2,1H3;1-9,17-19,24H,10-13H2;4-7,14-16,22H,8-11H2,1-3H3;4-7,12H,8-9H2,1-3H3,(H,17,20);1-4,11-13,17-18H,5-8H2;1-4,9H,5-6,12H2;6H,4-5H2,1-3H3;6,9H,4-5H2,1-3H3,(H,10,11);2-5,9-10H,1H3;1-4H;1-5H,(H,8,9);2H,1H3
InChIKeyZOTXQDLZUQXUKE-UHFFFAOYSA-N
XLogP19.81
TPSA528.55 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003183.79
LogP ≤ 519.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid with MolForge

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Related Compounds

[(3S)-3-[azetidin-3-yl(methyl)amino]pyrrolidin-1-yl]-phenylmethanone;benzoic acid;tert-butyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate;tert-butyl 3-[[(3S)-1-benzoylpyrrolidin-3-yl]-methylamino]azetidine-1-carboxylate;tert-butyl N-[(3S)-1-benzoylpyrrolidin-3-yl]-N-methylcarbamate;tert-butyl 3-oxoazetidine-1-carboxylate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;deuterio(fluoro)methane;[(3S)-3-ethylpyrrolidin-1-yl]-phenylmethanone;methanol;[(3S)-3-[methyl-[1-[4-[3-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;sulfane;4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 162097446
azetidin-3-one;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidine-1-carboxylate;3-fluorobenzoic acid;[3-[[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]amino]azetidin-1-yl]-(4-phenylphenyl)methanone;1-(4-phenylbenzoyl)azetidin-3-one;4-phenylbenzoyl chloride;(4-phenylphenyl)-[3-[[(3S)-pyrrolidin-3-yl]amino]azetidin-1-yl]methanone;dihydrochloride
CID 157960628
(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;[(4R)-3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid
CID 160098498
azetidin-3-one;tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidine-1-carboxylate;3-fluorobenzoic acid;[3-[[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]amino]azetidin-1-yl]-(4-phenylphenyl)methanone;methane;1-(4-phenylbenzoyl)azetidin-3-one;4-phenylbenzoyl chloride;(4-phenylphenyl)-[3-[[(3S)-pyrrolidin-3-yl]amino]azetidin-1-yl]methanone;dihydrochloride
CID 160554011

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid?
The IUPAC name of (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid (CID 162179082) is (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid?
The canonical SMILES for (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid is CC(C)(C)OC(=O)N1CC(=O)C(F)C1.CC(C)(C)OC(=O)N1CC(F)C(NC2CN(C(=O)c3ccc(Br)cc3)C2)C1.CC(C)(C)OC(=O)NC1CN(C(=O)c2ccc(Br)cc2)C1.CC(C)(C)OC(=O)NC1CNC1.CO.Cc1cccc(-c2ccc(C(=O)N3CC(NC4CN(C(=O)c5ccccc5)CC4F)C3)cc2)c1.Cc1cccc(B(O)O)c1.NC1CN(C(=O)c2ccc(Br)cc2)C1.O=C(Cl)c1ccc(Br)cc1.O=C(O)c1ccccc1.O=C(c1ccc(Br)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2F)C1.O=C(c1ccc(Br)cc1)N1CC(NC2CNCC2F)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid?
The InChIKey is ZOTXQDLZUQXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2.C21H21BrFN3O2.C19H25BrFN3O3.C15H19BrN2O3.C14H17BrFN3O.C10H11BrN2O.C9H14FNO3.C8H16N2O2.C7H9BO2.C7H4BrClO.C7H6O2.CH4O/c1-19-6-5-9-23(14-19)20-10-12-22(13-11-20)28(34)31-15-24(16-31)30-26-18-32(17-25(26)29)27(33)21-7-3-2-4-8-21;22-16-8-6-15(7-9-16)21(28)25-10-17(11-25)24-19-13-26(12-18(19)23)20(27)14-4-2-1-3-5-14;1-19(2,3)27-18(26)24-10-15(21)16(11-24)22-14-8-23(9-14)17(25)12-4-6-13(20)7-5-12;1-15(2,3)21-14(20)17-12-8-18(9-12)13(19)10-4-6-11(16)7-5-10;15-10-3-1-9(2-4-10)14(20)19-7-11(8-19)18-13-6-17-5-12(13)16;11-8-3-1-7(2-4-8)10(14)13-5-9(12)6-13;1-9(2,3)14-8(13)11-4-6(10)7(12)5-11;1-8(2,3)12-7(11)10-6-4-9-5-6;1-6-3-2-4-7(5-6)8(9)10;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-2/h2-14,24-26,30H,15-18H2,1H3;1-9,17-19,24H,10-13H2;4-7,14-16,22H,8-11H2,1-3H3;4-7,12H,8-9H2,1-3H3,(H,17,20);1-4,11-13,17-18H,5-8H2;1-4,9H,5-6,12H2;6H,4-5H2,1-3H3;6,9H,4-5H2,1-3H3,(H,10,11);2-5,9-10H,1H3;1-4H;1-5H,(H,8,9);2H,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid?
(3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid has a molecular weight of 3183.79 g/mol, XLogP of 19.81, 22 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(4-bromophenyl)methanone;benzoic acid;[3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidin-1-yl]-phenylmethanone;4-bromobenzoyl chloride;(4-bromophenyl)-[3-[(4-fluoropyrrolidin-3-yl)amino]azetidin-1-yl]methanone;tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl 3-[[1-(4-bromobenzoyl)azetidin-3-yl]amino]-4-fluoropyrrolidine-1-carboxylate;tert-butyl N-[1-(4-bromobenzoyl)azetidin-3-yl]carbamate;tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;[3-fluoro-4-[[1-[4-(3-methylphenyl)benzoyl]azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone;methanol;(3-methylphenyl)boronic acid is sourced from PubChem (CID 162179082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).