N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

C17H14ClN5O2 — CID 1253143

IUPACN-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)21-12-2-4-13(5-3-12)22-17(25)15-8-14(6-7-16(15)18)23-9-19-20-10-23/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyKISJEWBVUOGFDU-UHFFFAOYSA-N
MW355.79 g/mol
LogP3.13
Rot. Bonds4

About N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1253143) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1253143
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)21-12-2-4-13(5-3-12)22-17(25)15-8-14(6-7-16(15)18)23-9-19-20-10-23/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyKISJEWBVUOGFDU-UHFFFAOYSA-N
XLogP3.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-4,5-difluoro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 847944
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-isopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834461
2-chloro-N-methyl-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834480
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
(2-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
2-chloro-N-(4-methyl-2-pyridinyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834470

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (CID 1253143) is N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is CC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KISJEWBVUOGFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-11(24)21-12-2-4-13(5-3-12)22-17(25)15-8-14(6-7-16(15)18)23-9-19-20-10-23/h2-10H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 355.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1253143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).