3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide

C19H19ClN4O — CID 45206269

IUPAC3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H19ClN4O/c1-13-22-18(24-23-13)12-21-19(25)11-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRYQYZRZMBWZLPE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.60
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide

3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 45206269) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID45206269
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H19ClN4O/c1-13-22-18(24-23-13)12-21-19(25)11-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRYQYZRZMBWZLPE-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
CID 97282351
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 97276008
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]aniline
CID 61278325
N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 138035295

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide (CID 45206269) is 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide is Cc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is RYQYZRZMBWZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-22-18(24-23-13)12-21-19(25)11-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide?
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 354.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 45206269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).