N-(4-amino-2-chlorophenyl)-2-chlorobenzamide

C13H10Cl2N2O — CID 960633

IUPACN-(4-amino-2-chlorophenyl)-2-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-10-4-2-1-3-9(10)13(18)17-12-6-5-8(16)7-11(12)15/h1-7H,16H2,(H,17,18)
InChIKeyJRSQYJAQRXTCMC-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.83
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-2-chlorobenzamide

N-(4-amino-2-chlorophenyl)-2-chlorobenzamide (PubChem CID 960633) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-chlorobenzamide
PubChem CID960633
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-10-4-2-1-3-9(10)13(18)17-12-6-5-8(16)7-11(12)15/h1-7H,16H2,(H,17,18)
InChIKeyJRSQYJAQRXTCMC-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-chlorobenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-chlorobenzamide (CID 960633) is N-(4-amino-2-chlorophenyl)-2-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-chlorobenzamide is Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-chlorobenzamide?
The InChIKey is JRSQYJAQRXTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-4-2-1-3-9(10)13(18)17-12-6-5-8(16)7-11(12)15/h1-7H,16H2,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-chlorobenzamide?
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide has a molecular weight of 281.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 960633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).