N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide

C15H12N6O2 — CID 10267246

IUPACN-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C15H12N6O2/c16-13(22)9-5-7-12(8-6-9)17-15(23)11-3-1-10(2-4-11)14-18-20-21-19-14/h1-8H,(H2,16,22)(H,17,23)(H,18,19,20,21)
InChIKeyBNXOVFOKXFIWEE-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.22
Rot. Bonds4

About N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide

N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 10267246) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID10267246
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC NameN-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C15H12N6O2/c16-13(22)9-5-7-12(8-6-9)17-15(23)11-3-1-10(2-4-11)14-18-20-21-19-14/h1-8H,(H2,16,22)(H,17,23)(H,18,19,20,21)
InChIKeyBNXOVFOKXFIWEE-UHFFFAOYSA-N
XLogP1.22
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide (CID 10267246) is N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide is NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is BNXOVFOKXFIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c16-13(22)9-5-7-12(8-6-9)17-15(23)11-3-1-10(2-4-11)14-18-20-21-19-14/h1-8H,(H2,16,22)(H,17,23)(H,18,19,20,21).
What are the key properties of N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 308.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10267246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).