N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid

C119H145Br4Cl10F3N8O22 — CID 157164349

About N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid

N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid (PubChem CID 157164349) has the molecular formula C119H145Br4Cl10F3N8O22 and a molecular weight of 2770.64 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid
• PubChem CID: 157164349
• Molecular Formula: C119H145Br4Cl10F3N8O22
• Molecular Weight: 2770.64 g/mol
• Exact Mass: 2760.40
• IUPAC Name: N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid
• SMILES: BrCCCBr.CC(C)(C)OC(=O)N1CC(CN)C1.CC(C)(C)OC(=O)N1CC(CNC(=O)COc2ccc(Cl)cc2)C1.Clc1ccc(OCCCBr)cc1.Clc1ccc(OCCCBr)cc1.O=C(CCC1CN(CCCOc2ccc(Cl)cc2)C1)COc1ccc(Cl)cc1.O=C(CCC1CN(CCCOc2ccc(Cl)cc2)C1)COc1ccc(Cl)cc1.O=C(COc1ccc(Cl)cc1)NCC1CNC1.O=C(O)C(F)(F)F.O=C(O)COc1ccc(Cl)cc1.Oc1ccc(Cl)cc1
• InChI: InChI=1S/2C22H25Cl2NO3.C17H23ClN2O4.C12H15ClN2O2.2C9H10BrClO.C9H18N2O2.C8H7ClO3.C6H5ClO.C3H6Br2.C2HF3O2/c2*23-18-3-8-21(9-4-18)27-13-1-12-25-14-17(15-25)2-7-20(26)16-28-22-10-5-19(24)6-11-22;1-17(2,3)24-16(22)20-9-12(10-20)8-19-15(21)11-23-14-6-4-13(18)5-7-14;13-10-1-3-11(4-2-10)17-8-12(16)15-7-9-5-14-6-9;2*10-6-1-7-12-9-4-2-8(11)3-5-9;1-9(2,3)13-8(12)11-5-7(4-10)6-11;9-6-1-3-7(4-2-6)12-5-8(10)11;7-5-1-3-6(8)4-2-5;4-2-1-3-5;3-2(4,5)1(6)7/h2*3-6,8-11,17H,1-2,7,12-16H2;4-7,12H,8-11H2,1-3H3,(H,19,21);1-4,9,14H,5-8H2,(H,15,16);2*2-5H,1,6-7H2;7H,4-6,10H2,1-3H3;1-4H,5H2,(H,10,11);1-4,8H;1-3H2;(H,6,7)
• InChIKey: BOIAFOBDPBLZOD-UHFFFAOYSA-N
• XLogP: 28.47
• TPSA: 373.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2770.64
LogP ≤ 5	28.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid (CID 157164349) is N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid is BrCCCBr.CC(C)(C)OC(=O)N1CC(CN)C1.CC(C)(C)OC(=O)N1CC(CNC(=O)COc2ccc(Cl)cc2)C1.Clc1ccc(OCCCBr)cc1.Clc1ccc(OCCCBr)cc1.O=C(CCC1CN(CCCOc2ccc(Cl)cc2)C1)COc1ccc(Cl)cc1.O=C(CCC1CN(CCCOc2ccc(Cl)cc2)C1)COc1ccc(Cl)cc1.O=C(COc1ccc(Cl)cc1)NCC1CNC1.O=C(O)C(F)(F)F.O=C(O)COc1ccc(Cl)cc1.Oc1ccc(Cl)cc1.

What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid?

The InChIKey is BOIAFOBDPBLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25Cl2NO3.C17H23ClN2O4.C12H15ClN2O2.2C9H10BrClO.C9H18N2O2.C8H7ClO3.C6H5ClO.C3H6Br2.C2HF3O2/c2*23-18-3-8-21(9-4-18)27-13-1-12-25-14-17(15-25)2-7-20(26)16-28-22-10-5-19(24)6-11-22;1-17(2,3)24-16(22)20-9-12(10-20)8-19-15(21)11-23-14-6-4-13(18)5-7-14;13-10-1-3-11(4-2-10)17-8-12(16)15-7-9-5-14-6-9;2*10-6-1-7-12-9-4-2-8(11)3-5-9;1-9(2,3)13-8(12)11-5-7(4-10)6-11;9-6-1-3-7(4-2-6)12-5-8(10)11;7-5-1-3-6(8)4-2-5;4-2-1-3-5;3-2(4,5)1(6)7/h2*3-6,8-11,17H,1-2,7,12-16H2;4-7,12H,8-11H2,1-3H3,(H,19,21);1-4,9,14H,5-8H2,(H,15,16);2*2-5H,1,6-7H2;7H,4-6,10H2,1-3H3;1-4H,5H2,(H,10,11);1-4,8H;1-3H2;(H,6,7).

What are the key properties of N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid?

N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid has a molecular weight of 2770.64 g/mol, XLogP of 28.47, 46 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-ylmethyl)-2-(4-chlorophenoxy)acetamide;bis(1-(3-bromopropoxy)-4-chlorobenzene);tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]azetidine-1-carboxylate;4-chlorophenol;2-(4-chlorophenoxy)acetic acid;bis(1-(4-chlorophenoxy)-4-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]butan-2-one);1,3-dibromopropane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157164349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).