N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide

C23H18F3N5O2 — CID 25113649

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C23H18F3N5O2/c1-14-5-6-15(10-18(14)20-13-31(30-29-20)17-4-3-9-27-12-17)22(32)28-19-11-16(23(24,25)26)7-8-21(19)33-2/h3-13H,1-2H3,(H,28,32)
InChIKeyXWHFOSMVZYPAMB-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.92
Rot. Bonds5

About N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide

N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide (PubChem CID 25113649) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide
PubChem CID25113649
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2cn(-c3cccnc3)nn2)c1
InChIInChI=1S/C23H18F3N5O2/c1-14-5-6-15(10-18(14)20-13-31(30-29-20)17-4-3-9-27-12-17)22(32)28-19-11-16(23(24,25)26)7-8-21(19)33-2/h3-13H,1-2H3,(H,28,32)
InChIKeyXWHFOSMVZYPAMB-UHFFFAOYSA-N
XLogP4.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11190042
7-(2-(3-(2-(2-(dimethylamino)ethoxy)-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11454895
N-[2-(1,1-difluoroethyl)pyridin-4-yl]-3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylbenzamide
CID 90456082
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)cyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 91937643
3-(6-methoxy-5-morpholinopyridazin-3-yl)-4-methyl-N-(2-(trifluoromethyl)pyridin-4-yl)benzamide
CID 117609817
N-(2-phenoxyphenyl)-7-(4-pyridin-3-yltriazol-1-yl)heptanamide
CID 44819875
N-(2-phenoxyphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819876
N-(2-phenoxyphenyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819877
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[1-[[4-[4-[[4-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]benzamide
CID 45483654
N-(3-Fluoro-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-6-phenylnicotinamide
CID 53248158
3-[3-(difluoromethoxy)-2-pyridinyl]-N-[2-pyridin-2-yl-3-(trifluoromethyl)phenyl]benzamide
CID 137651969
3-[2-(3-methoxy-2-pyridinyl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 137653707

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide (CID 25113649) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2cn(-c3cccnc3)nn2)c1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide?
The InChIKey is XWHFOSMVZYPAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-14-5-6-15(10-18(14)20-13-31(30-29-20)17-4-3-9-27-12-17)22(32)28-19-11-16(23(24,25)26)7-8-21(19)33-2/h3-13H,1-2H3,(H,28,32).
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide has a molecular weight of 453.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyridin-3-yltriazol-4-yl)benzamide is sourced from PubChem (CID 25113649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).