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

C15H14Cl2N2O — CID 104725697

IUPAC4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O/c1-8-6-12(17)14(7-11(8)16)19-15(20)10-3-4-13(18)9(2)5-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyBCFQJRQJWUAHFE-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds2

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

4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide (PubChem CID 104725697) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
PubChem CID104725697
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O/c1-8-6-12(17)14(7-11(8)16)19-15(20)10-3-4-13(18)9(2)5-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyBCFQJRQJWUAHFE-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-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104728259
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide (CID 104725697) is 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N.
What is the InChIKey of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
The InChIKey is BCFQJRQJWUAHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-6-12(17)14(7-11(8)16)19-15(20)10-3-4-13(18)9(2)5-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide?
4-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 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 104725697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).