N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide

C76H54Cl4F18N14O7 — CID 158199875

About N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide

N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide (PubChem CID 158199875) has the molecular formula C76H54Cl4F18N14O7 and a molecular weight of 1759.13 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
• PubChem CID: 158199875
• Molecular Formula: C76H54Cl4F18N14O7
• Molecular Weight: 1759.13 g/mol
• Exact Mass: 1756.28
• IUPAC Name: N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(NC(=O)c2ccc(Cl)c(-c3ccccn3)c2)cc(OC)c1.COc1cc(OC)cc(C(=O)Nc2ncn(-c3ncc(C(F)(F)F)cc3Cl)n2)c1.FC(F)(F)c1cc(CCCNc2ccc(Cl)c(-c3ccccn3)c2)cc(C(F)(F)F)c1.O=C(Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C22H17ClF6N2.C20H17ClN2O3.C17H7ClF9N5O.C17H13ClF3N5O3/c23-19-7-6-17(13-18(19)20-5-1-2-8-31-20)30-9-3-4-14-10-15(21(24,25)26)12-16(11-14)22(27,28)29;1-25-15-10-14(11-16(12-15)26-2)23-20(24)13-6-7-18(21)17(9-13)19-5-3-4-8-22-19;18-11-4-10(17(25,26)27)5-28-12(11)32-6-29-14(31-32)30-13(33)7-1-8(15(19,20)21)3-9(2-7)16(22,23)24;1-28-11-3-9(4-12(6-11)29-2)15(27)24-16-23-8-26(25-16)14-13(18)5-10(7-22-14)17(19,20)21/h1-2,5-8,10-13,30H,3-4,9H2;3-12H,1-2H3,(H,23,24);1-6H,(H,30,31,33);3-8H,1-2H3,(H,24,25,27)
• InChIKey: GAUKWSSBRFBCJR-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 249.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1759.13
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide?

The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide (CID 158199875) is N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide.

What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide?

The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide is COc1cc(NC(=O)c2ccc(Cl)c(-c3ccccn3)c2)cc(OC)c1.COc1cc(OC)cc(C(=O)Nc2ncn(-c3ncc(C(F)(F)F)cc3Cl)n2)c1.FC(F)(F)c1cc(CCCNc2ccc(Cl)c(-c3ccccn3)c2)cc(C(F)(F)F)c1.O=C(Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide?

The InChIKey is GAUKWSSBRFBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF6N2.C20H17ClN2O3.C17H7ClF9N5O.C17H13ClF3N5O3/c23-19-7-6-17(13-18(19)20-5-1-2-8-31-20)30-9-3-4-14-10-15(21(24,25)26)12-16(11-14)22(27,28)29;1-25-15-10-14(11-16(12-15)26-2)23-20(24)13-6-7-18(21)17(9-13)19-5-3-4-8-22-19;18-11-4-10(17(25,26)27)5-28-12(11)32-6-29-14(31-32)30-13(33)7-1-8(15(19,20)21)3-9(2-7)16(22,23)24;1-28-11-3-9(4-12(6-11)29-2)15(27)24-16-23-8-26(25-16)14-13(18)5-10(7-22-14)17(19,20)21/h1-2,5-8,10-13,30H,3-4,9H2;3-12H,1-2H3,(H,23,24);1-6H,(H,30,31,33);3-8H,1-2H3,(H,24,25,27).

What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide?

N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 1759.13 g/mol, XLogP of 21.38, 19 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 158199875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).