N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide

C11H10ClN5O2 — CID 112729777

IUPACN-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C11H10ClN5O2/c1-6(18)14-9-3-2-7(4-8(9)12)15-11(19)10-5-13-17-16-10/h2-5H,1H3,(H,14,18)(H,15,19)(H,13,16,17)
InChIKeyZFNGRCOCBIQNOT-UHFFFAOYSA-N
MW279.69 g/mol
LogP1.67
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide

N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide (PubChem CID 112729777) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
PubChem CID112729777
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C11H10ClN5O2/c1-6(18)14-9-3-2-7(4-8(9)12)15-11(19)10-5-13-17-16-10/h2-5H,1H3,(H,14,18)(H,15,19)(H,13,16,17)
InChIKeyZFNGRCOCBIQNOT-UHFFFAOYSA-N
XLogP1.67
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 110475529
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 78969253
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide (CID 112729777) is N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is ZFNGRCOCBIQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c1-6(18)14-9-3-2-7(4-8(9)12)15-11(19)10-5-13-17-16-10/h2-5H,1H3,(H,14,18)(H,15,19)(H,13,16,17).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide?
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 279.69 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112729777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).