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

C16H17ClN2O — CID 106860442

IUPACN-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)c(C)cc2C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9-4-5-12(13(17)6-9)16(20)19-15-8-14(18)10(2)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyXPFHUPVMIAXHHS-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.10
Rot. Bonds2

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

N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide (PubChem CID 106860442) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
PubChem CID106860442
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)c(C)cc2C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9-4-5-12(13(17)6-9)16(20)19-15-8-14(18)10(2)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyXPFHUPVMIAXHHS-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-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide
CID 104667657
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide (CID 106860442) is N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(N)c(C)cc2C)c(Cl)c1.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide?
The InChIKey is XPFHUPVMIAXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9-4-5-12(13(17)6-9)16(20)19-15-8-14(18)10(2)7-11(15)3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide?
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-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-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106860442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).