3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

C20H20N6O2 — CID 136576817

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)c1
InChIInChI=1S/C20H20N6O2/c1-12-9-18(12)20(28)22-15-6-3-5-14(10-15)19(27)21-16-7-4-8-17(11-16)26-13(2)23-24-25-26/h3-8,10-12,18H,9H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyYOXFJKBQUWGPIT-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.82
Rot. Bonds5

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (PubChem CID 136576817) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
PubChem CID136576817
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)c1
InChIInChI=1S/C20H20N6O2/c1-12-9-18(12)20(28)22-15-6-3-5-14(10-15)19(27)21-16-7-4-8-17(11-16)26-13(2)23-24-25-26/h3-8,10-12,18H,9H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyYOXFJKBQUWGPIT-UHFFFAOYSA-N
XLogP2.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide with MolForge

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676403
5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
CID 99597712
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (CID 136576817) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is Cc1nnnn1-c1cccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is YOXFJKBQUWGPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-9-18(12)20(28)22-15-6-3-5-14(10-15)19(27)21-16-7-4-8-17(11-16)26-13(2)23-24-25-26/h3-8,10-12,18H,9H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 136576817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).