4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C18H16N4O2 — CID 75504194

IUPAC4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1
InChIInChI=1S/C18H16N4O2/c1-12(23)13-3-5-15(6-4-13)18(24)20-16-9-7-14(8-10-16)17-19-11-22(2)21-17/h3-11H,1-2H3,(H,20,24)
InChIKeyHANUSFOUCOXAEV-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.94
Rot. Bonds4

About 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 75504194) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID75504194
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1
InChIInChI=1S/C18H16N4O2/c1-12(23)13-3-5-15(6-4-13)18(24)20-16-9-7-14(8-10-16)17-19-11-22(2)21-17/h3-11H,1-2H3,(H,20,24)
InChIKeyHANUSFOUCOXAEV-UHFFFAOYSA-N
XLogP2.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 136521739
4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
CID 136521772
cis-(1R,2S)-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129401772
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
CID 154839096
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 154806277
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
4-methyl-4-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122089266

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 75504194) is 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is CC(=O)c1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is HANUSFOUCOXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(23)13-3-5-15(6-4-13)18(24)20-16-9-7-14(8-10-16)17-19-11-22(2)21-17/h3-11H,1-2H3,(H,20,24).
What are the key properties of 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 75504194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).