2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide

C15H14Cl2N2O — CID 104725699

IUPAC2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2cccc(C)c2N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-8-4-3-5-10(14(8)18)15(20)19-13-7-11(16)9(2)6-12(13)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyNDMJXJJQHKLNSH-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds2

About 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide

2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide (PubChem CID 104725699) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
PubChem CID104725699
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2cccc(C)c2N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-8-4-3-5-10(14(8)18)15(20)19-13-7-11(16)9(2)6-12(13)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyNDMJXJJQHKLNSH-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.44
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

3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide (CID 104725699) is 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide is Cc1cc(Cl)c(NC(=O)c2cccc(C)c2N)cc1Cl.
What is the InChIKey of 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The InChIKey is NDMJXJJQHKLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-4-3-5-10(14(8)18)15(20)19-13-7-11(16)9(2)6-12(13)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide has a molecular weight of 309.20 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 104725699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).