2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid

C17H13ClN4O3 — CID 154877144

IUPAC2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN4O3/c18-12-6-8-13(9-7-12)22-19-10-14(21-22)16(23)20-15(17(24)25)11-4-2-1-3-5-11/h1-10,15H,(H,20,23)(H,24,25)
InChIKeyLQAFMOQEDUSUGX-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.48
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid

2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid (PubChem CID 154877144) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid
PubChem CID154877144
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN4O3/c18-12-6-8-13(9-7-12)22-19-10-14(21-22)16(23)20-15(17(24)25)11-4-2-1-3-5-11/h1-10,15H,(H,20,23)(H,24,25)
InChIKeyLQAFMOQEDUSUGX-UHFFFAOYSA-N
XLogP2.48
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
2-[[1-(4-bromophenyl)pyrazole-3-carbonyl]amino]-2-phenylacetic acid
CID 154877134
N-pentan-2-yl-2-phenyltriazole-4-carboxamide
CID 18189508
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid (CID 154877144) is 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1cnn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is LQAFMOQEDUSUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-12-6-8-13(9-7-12)22-19-10-14(21-22)16(23)20-15(17(24)25)11-4-2-1-3-5-11/h1-10,15H,(H,20,23)(H,24,25).
What are the key properties of 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid?
2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 356.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 154877144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).