4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine

C74H96BBr2Cl3F9N11O6 — CID 160739624

IUPAC4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine
SMILESCCN(CC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1.CCN(CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1.CCNCC.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C18H25BF3NO3.C16H21ClN4.C12H13BrF3NO.C8H4BrF3O2.C8H4Cl2N2.C8H18N2.C4H11N/c1-7-23(8-2)15(24)12-9-10-14(13(11-12)18(20,21)22)19-25-16(3,4)17(5,6)26-19;17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-3-17(4-2)11(18)8-5-6-10(13)9(7-8)12(14,15)16;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-3-5-4-2/h9-11H,7-8H2,1-6H3;5,7,11-12H,1-4,6,8-10H2,(H,19,20);5-7H,3-4H2,1-2H3;1-3H,(H,13,14);1-4H;1-9H2;5H,3-4H2,1-2H3
InChIKeyRVKAXZSNKASGNK-UHFFFAOYSA-N
MW1683.61 g/mol
LogP18.55
Rot. Bonds18

About 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine

4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine (PubChem CID 160739624) has the molecular formula C74H96BBr2Cl3F9N11O6 and a molecular weight of 1683.61 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine
PubChem CID160739624
Molecular FormulaC74H96BBr2Cl3F9N11O6
Molecular Weight1683.61 g/mol
Exact Mass1679.49
IUPAC Name4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine
SMILESCCN(CC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1.CCN(CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1.CCNCC.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C18H25BF3NO3.C16H21ClN4.C12H13BrF3NO.C8H4BrF3O2.C8H4Cl2N2.C8H18N2.C4H11N/c1-7-23(8-2)15(24)12-9-10-14(13(11-12)18(20,21)22)19-25-16(3,4)17(5,6)26-19;17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-3-17(4-2)11(18)8-5-6-10(13)9(7-8)12(14,15)16;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-3-5-4-2/h9-11H,7-8H2,1-6H3;5,7,11-12H,1-4,6,8-10H2,(H,19,20);5-7H,3-4H2,1-2H3;1-3H,(H,13,14);1-4H;1-9H2;5H,3-4H2,1-2H3
InChIKeyRVKAXZSNKASGNK-UHFFFAOYSA-N
XLogP18.55
TPSA204.50 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.61
LogP ≤ 518.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine with MolForge

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Related Compounds

7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride
CID 159039826
4-Bromobenzoic acid;1-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-[4-(4-chloro-1,6-naphthyridin-2-yl)phenyl]-2-(1-methylpiperidin-4-yl)ethanone;2,4-dichloro-1,6-naphthyridine;bis(1-methylpiperidin-4-amine);2-(1-methylpiperidin-4-yl)-1-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]ethanone;2-(1-methylpiperidin-4-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 161400385
4-bromobenzoic acid;4-bromo-N,N-diethylbenzamide;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-[4-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;N-ethylethanamine;3-morpholin-4-ylpropan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161429488

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine (CID 160739624) is 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine is CCN(CC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1.CCN(CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1.CCNCC.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=C(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine?
The InChIKey is RVKAXZSNKASGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BF3NO3.C16H21ClN4.C12H13BrF3NO.C8H4BrF3O2.C8H4Cl2N2.C8H18N2.C4H11N/c1-7-23(8-2)15(24)12-9-10-14(13(11-12)18(20,21)22)19-25-16(3,4)17(5,6)26-19;17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-3-17(4-2)11(18)8-5-6-10(13)9(7-8)12(14,15)16;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-3-5-4-2/h9-11H,7-8H2,1-6H3;5,7,11-12H,1-4,6,8-10H2,(H,19,20);5-7H,3-4H2,1-2H3;1-3H,(H,13,14);1-4H;1-9H2;5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine?
4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1683.61 g/mol, XLogP of 18.55, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-3-(trifluoromethyl)benzamide;4-bromo-3-(trifluoromethyl)benzoic acid;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzamide;N-ethylethanamine;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 160739624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).