3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C19H19N5O2 — CID 87011024

IUPAC3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)ccc1C
InChIInChI=1S/C19H19N5O2/c1-11-7-8-15(10-17(11)21-13(3)25)19(26)22-16-6-4-5-14(9-16)18-20-12(2)23-24-18/h4-10H,1-3H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyFYMDAXVULRXSQW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.30
Rot. Bonds4

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

3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 87011024) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID87011024
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)ccc1C
InChIInChI=1S/C19H19N5O2/c1-11-7-8-15(10-17(11)21-13(3)25)19(26)22-16-6-4-5-14(9-16)18-20-12(2)23-24-18/h4-10H,1-3H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyFYMDAXVULRXSQW-UHFFFAOYSA-N
XLogP3.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
N-[2-chloro-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55822443
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131900628
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 136578425
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 87011024) is 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is CC(=O)Nc1cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is FYMDAXVULRXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-7-8-15(10-17(11)21-13(3)25)19(26)22-16-6-4-5-14(9-16)18-20-12(2)23-24-18/h4-10H,1-3H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 87011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).