N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide

C15H15ClN2O — CID 62086045

IUPACN-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2Cl)cc1C
InChIInChI=1S/C15H15ClN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyGOHPWIRUUUNKAO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide

N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide (PubChem CID 62086045) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
PubChem CID62086045
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2Cl)cc1C
InChIInChI=1S/C15H15ClN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyGOHPWIRUUUNKAO-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-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide (CID 62086045) is N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c(N)cccc2Cl)cc1C.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide?
The InChIKey is GOHPWIRUUUNKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide?
N-(2-amino-6-chlorophenyl)-3,4-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-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 62086045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).