N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide

C15H15ClN2O — CID 16788699

IUPACN-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1C
InChIInChI=1S/C15H15ClN2O/c1-9-4-3-5-12(10(9)2)15(19)18-14-7-6-11(17)8-13(14)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyRQOWUPQELHXDNR-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide

N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide (PubChem CID 16788699) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
PubChem CID16788699
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1C
InChIInChI=1S/C15H15ClN2O/c1-9-4-3-5-12(10(9)2)15(19)18-14-7-6-11(17)8-13(14)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyRQOWUPQELHXDNR-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.79
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

N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-[(2-chloro-4-methylphenyl)carbamothioyl]-2,3-dimethylbenzamide
CID 924543
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide (CID 16788699) is N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1C.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide?
The InChIKey is RQOWUPQELHXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-4-3-5-12(10(9)2)15(19)18-14-7-6-11(17)8-13(14)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide?
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.79, 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)-2,3-dimethylbenzamide is sourced from PubChem (CID 16788699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).