1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide

C19H17ClN4O — CID 26391382

IUPAC1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O/c20-16-9-5-4-8-14(16)11-24-12-18(22-23-24)19(25)21-17-10-15(17)13-6-2-1-3-7-13/h1-9,12,15,17H,10-11H2,(H,21,25)/t15-,17+/m0/s1
InChIKeyBGNUCWMEGBLIFV-DOTOQJQBSA-N
MW352.83 g/mol
LogP3.27
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide (PubChem CID 26391382) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
PubChem CID26391382
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O/c20-16-9-5-4-8-14(16)11-24-12-18(22-23-24)19(25)21-17-10-15(17)13-6-2-1-3-7-13/h1-9,12,15,17H,10-11H2,(H,21,25)/t15-,17+/m0/s1
InChIKeyBGNUCWMEGBLIFV-DOTOQJQBSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
CID 42359128
2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 174938653
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
CID 138057231
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
CID 119069614
1-[(2-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)triazole-4-carboxamide
CID 45211543
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 42519718

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide (CID 26391382) is 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide?
The InChIKey is BGNUCWMEGBLIFV-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-9-5-4-8-14(16)11-24-12-18(22-23-24)19(25)21-17-10-15(17)13-6-2-1-3-7-13/h1-9,12,15,17H,10-11H2,(H,21,25)/t15-,17+/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide is sourced from PubChem (CID 26391382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).