N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide

C15H15ClN2O — CID 103144412

IUPACN-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)c(C)cc1N
InChIInChI=1S/C15H15ClN2O/c1-9-7-14(10(2)6-13(9)17)18-15(19)11-4-3-5-12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyJVYNYPIINZHDJZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide

N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide (PubChem CID 103144412) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
PubChem CID103144412
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)c(C)cc1N
InChIInChI=1S/C15H15ClN2O/c1-9-7-14(10(2)6-13(9)17)18-15(19)11-4-3-5-12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyJVYNYPIINZHDJZ-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-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
CID 91676215
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide (CID 103144412) is N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide is Cc1cc(NC(=O)c2cccc(Cl)c2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide?
The InChIKey is JVYNYPIINZHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-7-14(10(2)6-13(9)17)18-15(19)11-4-3-5-12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide?
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide 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-2,5-dimethylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 103144412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).