4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide

C23H19N5O2 — CID 134953915

IUPAC4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N5O2/c1-24-21(29)18-14-12-16(13-15-18)20-25-23(26-22(30)17-8-4-2-5-9-17)27-28(20)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,29)(H,26,27,30)
InChIKeyMEPFVNZOHNDCAN-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.55
Rot. Bonds5

About 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide

4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide (PubChem CID 134953915) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
PubChem CID134953915
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N5O2/c1-24-21(29)18-14-12-16(13-15-18)20-25-23(26-22(30)17-8-4-2-5-9-17)27-28(20)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,29)(H,26,27,30)
InChIKeyMEPFVNZOHNDCAN-UHFFFAOYSA-N
XLogP3.55
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
CID 18184881
N-methylbenzamide
CID 11954
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
CID 18184865
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
azanium [4-[[5-[(4-ethynylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanide
CID 161012194
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide?
The IUPAC name of 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide (CID 134953915) is 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide?
The InChIKey is MEPFVNZOHNDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-24-21(29)18-14-12-16(13-15-18)20-25-23(26-22(30)17-8-4-2-5-9-17)27-28(20)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,29)(H,26,27,30).
What are the key properties of 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide?
4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide has a molecular weight of 397.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide is sourced from PubChem (CID 134953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).