2-(5-amino-2-chloro-4-cyanophenyl)benzamide

C14H10ClN3O — CID 145170414

IUPAC2-(5-amino-2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1cc(Cl)c(-c2ccccc2C(N)=O)cc1N
InChIInChI=1S/C14H10ClN3O/c15-12-5-8(7-16)13(17)6-11(12)9-3-1-2-4-10(9)14(18)19/h1-6H,17H2,(H2,18,19)
InChIKeyYYCKJPFRNWNAQT-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.56
Rot. Bonds2

About 2-(5-amino-2-chloro-4-cyanophenyl)benzamide

2-(5-amino-2-chloro-4-cyanophenyl)benzamide (PubChem CID 145170414) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-(5-amino-2-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-(5-amino-2-chloro-4-cyanophenyl)benzamide
PubChem CID145170414
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-(5-amino-2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1cc(Cl)c(-c2ccccc2C(N)=O)cc1N
InChIInChI=1S/C14H10ClN3O/c15-12-5-8(7-16)13(17)6-11(12)9-3-1-2-4-10(9)14(18)19/h1-6H,17H2,(H2,18,19)
InChIKeyYYCKJPFRNWNAQT-UHFFFAOYSA-N
XLogP2.56
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
CID 67432245
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
2-(2-aminophenyl)benzoyl chloride
CID 54476428
5-amino-4-chloro-2-cyanobenzoic acid
CID 171018667
4-chloro-5-(2-chlorophenyl)-2-ethylaniline
CID 90462567
2,5-diamino-4-chlorobenzonitrile
CID 171016548
(2,4-dichlorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7520296
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
CID 51114705
5-amino-2-(2-aminophenyl)benzamide
CID 68784077
2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
CID 53220170

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 2-(5-amino-2-chloro-4-cyanophenyl)benzamide (CID 145170414) is 2-(5-amino-2-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 2-(5-amino-2-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 2-(5-amino-2-chloro-4-cyanophenyl)benzamide is N#Cc1cc(Cl)c(-c2ccccc2C(N)=O)cc1N.
What is the InChIKey of 2-(5-amino-2-chloro-4-cyanophenyl)benzamide?
The InChIKey is YYCKJPFRNWNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-5-8(7-16)13(17)6-11(12)9-3-1-2-4-10(9)14(18)19/h1-6H,17H2,(H2,18,19).
What are the key properties of 2-(5-amino-2-chloro-4-cyanophenyl)benzamide?
2-(5-amino-2-chloro-4-cyanophenyl)benzamide has a molecular weight of 271.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 145170414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).