N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide

C17H15N5O2 — CID 134472153

IUPACN-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESCC(=O)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N5O2/c1-12(23)18-17-20-16(19-15(24)13-8-4-2-5-9-13)21-22(17)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20,21,23,24)
InChIKeyLVFJJONSPZYATK-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.48
Rot. Bonds4

About N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide

N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 134472153) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
PubChem CID134472153
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESCC(=O)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N5O2/c1-12(23)18-17-20-16(19-15(24)13-8-4-2-5-9-13)21-22(17)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20,21,23,24)
InChIKeyLVFJJONSPZYATK-UHFFFAOYSA-N
XLogP2.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide 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

4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
CID 134953915
azanium [4-[[5-[(4-ethynylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanide
CID 161012194
N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 146650001
4-[(heptanoylamino)methyl]-N-[2-phenyl-5-(1-phenylethenylamino)-1,2,4-triazol-3-yl]benzamide
CID 159056238
[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium
CID 153496956
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649862
ethyl (E)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-2-chlorobut-2-enoate
CID 91697477
N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
CID 146650316
4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
CID 16739136
N-pyrimidin-2-ylbenzamide
CID 638481
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 161064740
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide (CID 134472153) is N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide is CC(=O)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LVFJJONSPZYATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-12(23)18-17-20-16(19-15(24)13-8-4-2-5-9-13)21-22(17)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20,21,23,24).
What are the key properties of N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 134472153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).