N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide

C16H17ClN2O — CID 107095769

IUPACN-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C16H17ClN2O/c1-9-7-14(18)15(8-10(9)2)19-16(20)12-5-4-6-13(17)11(12)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyKDHBNTBOFSYFJO-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.10
Rot. Bonds2

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

N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide (PubChem CID 107095769) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
PubChem CID107095769
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C16H17ClN2O/c1-9-7-14(18)15(8-10(9)2)19-16(20)12-5-4-6-13(17)11(12)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyKDHBNTBOFSYFJO-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.10
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-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide (CID 107095769) is N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide is Cc1cc(N)c(NC(=O)c2cccc(Cl)c2C)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide?
The InChIKey is KDHBNTBOFSYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9-7-14(18)15(8-10(9)2)19-16(20)12-5-4-6-13(17)11(12)3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide?
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107095769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).