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

C14H9Cl2N3O — CID 107806873

IUPAC2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-3-10(12(18)6-9)14(20)19-13-4-1-8(7-17)5-11(13)16/h1-6H,18H2,(H,19,20)
InChIKeyCNGMRDZDFQQNAC-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.70
Rot. Bonds2

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

2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide (PubChem CID 107806873) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
PubChem CID107806873
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-3-10(12(18)6-9)14(20)19-13-4-1-8(7-17)5-11(13)16/h1-6H,18H2,(H,19,20)
InChIKeyCNGMRDZDFQQNAC-UHFFFAOYSA-N
XLogP3.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.70
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

2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide (CID 107806873) is 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)c(Cl)c1.
What is the InChIKey of 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide?
The InChIKey is CNGMRDZDFQQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-2-3-10(12(18)6-9)14(20)19-13-4-1-8(7-17)5-11(13)16/h1-6H,18H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide?
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide has a molecular weight of 306.15 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 107806873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).