N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide

C15H12N6O4 — CID 3165712

IUPACN-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N6O4/c1-25-12-6-7-13(14(8-12)21(23)24)17-15(22)10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22)
InChIKeyAZEZIYXUKBLRJB-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.83
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide

N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 3165712) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID3165712
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N6O4/c1-25-12-6-7-13(14(8-12)21(23)24)17-15(22)10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22)
InChIKeyAZEZIYXUKBLRJB-UHFFFAOYSA-N
XLogP1.83
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CID 1473812
[2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 4853358
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 25161906
N-(3,4-dimethoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CID 1473802
N-[2-(difluoromethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17414087
N-(2-methoxyphenyl)-4-(1H-tetraazol-1-yl)benzamide
CID 777207
N-(4-methoxyphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 779650
N-(3-methoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 17518681
4-Fluoro-N-(3-methoxy-5-tetrazol-1-yl-phenyl)-benzamide
CID 579471

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide (CID 3165712) is N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is AZEZIYXUKBLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-25-12-6-7-13(14(8-12)21(23)24)17-15(22)10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide?
N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 340.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 3165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).