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

C14H12Cl2N2O — CID 28967456

IUPAC4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-2-5-13(12(16)6-8)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRDZYGMHAWPKLEI-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.14
Rot. Bonds2

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

4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide (PubChem CID 28967456) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
PubChem CID28967456
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-2-5-13(12(16)6-8)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRDZYGMHAWPKLEI-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.14
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

4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide (CID 28967456) is 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The InChIKey is RDZYGMHAWPKLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-2-5-13(12(16)6-8)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide has a molecular weight of 295.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 28967456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).