N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide

C17H12ClN7O — CID 169346329

IUPACN-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
SMILESN#CC(=CNc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1nn[nH]n1
InChIInChI=1S/C17H12ClN7O/c18-13-4-2-6-15(8-13)21-17(26)11-3-1-5-14(7-11)20-10-12(9-19)16-22-24-25-23-16/h1-8,10,20H,(H,21,26)(H,22,23,24,25)
InChIKeyVFVBJXOZYFQPRT-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.08
Rot. Bonds5

About N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide

N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide (PubChem CID 169346329) has the molecular formula C17H12ClN7O and a molecular weight of 365.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
PubChem CID169346329
Molecular FormulaC17H12ClN7O
Molecular Weight365.78 g/mol
Exact Mass365.08
IUPAC NameN-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
SMILESN#CC(=CNc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1nn[nH]n1
InChIInChI=1S/C17H12ClN7O/c18-13-4-2-6-15(8-13)21-17(26)11-3-1-5-14(7-11)20-10-12(9-19)16-22-24-25-23-16/h1-8,10,20H,(H,21,26)(H,22,23,24,25)
InChIKeyVFVBJXOZYFQPRT-UHFFFAOYSA-N
XLogP3.08
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169342731
2,4-dichloro-N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169344301
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(2,6-dimethylphenyl)benzamide
CID 169343133
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]furan-2-carboxamide
CID 169343785
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(2,5-dimethoxyphenyl)benzamide
CID 169347008
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N,N-diethylbenzamide
CID 169343475
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
CID 169345200
3-[3-(3,4-dichlorophenyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169344292
3-[4-(3-chlorophenoxy)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342917
3-[3-(hydroxymethyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342243
3-[4-(3-acetylphenyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169343040
3-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]prop-2-enoic acid
CID 169344039

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide (CID 169346329) is N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide is N#CC(=CNc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1nn[nH]n1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide?
The InChIKey is VFVBJXOZYFQPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN7O/c18-13-4-2-6-15(8-13)21-17(26)11-3-1-5-14(7-11)20-10-12(9-19)16-22-24-25-23-16/h1-8,10,20H,(H,21,26)(H,22,23,24,25).
What are the key properties of N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide?
N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide has a molecular weight of 365.78 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide is sourced from PubChem (CID 169346329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).