2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide

C18H18N6O2 — CID 50975042

IUPAC2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C18H18N6O2/c1-12-7-8-15(21-18(26)14-6-4-3-5-13(14)2)16(9-12)20-17(25)10-24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyNPEJMKRTZZKBQQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide

2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 50975042) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID50975042
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2C)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C18H18N6O2/c1-12-7-8-15(21-18(26)14-6-4-3-5-13(14)2)16(9-12)20-17(25)10-24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyNPEJMKRTZZKBQQ-UHFFFAOYSA-N
XLogP2.18
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
CID 94801495
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CID 24977364
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 75432089
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
CID 78980899
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide (CID 50975042) is 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2C)c(NC(=O)Cn2cnnn2)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is NPEJMKRTZZKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-7-8-15(21-18(26)14-6-4-3-5-13(14)2)16(9-12)20-17(25)10-24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide?
2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 50975042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).