4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H12N6O — CID 43702822

IUPAC4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C14H12N6O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,15H2,(H,17,21)
InChIKeyKDTDGCZASPGIGE-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 43702822) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID43702822
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C14H12N6O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,15H2,(H,17,21)
InChIKeyKDTDGCZASPGIGE-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 24617889
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 43702822) is 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is KDTDGCZASPGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-11-6-4-10(5-7-11)14(21)17-12-2-1-3-13(8-12)20-9-16-18-19-20/h1-9H,15H2,(H,17,21).
What are the key properties of 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 43702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).