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

C15H14Cl2N2O — CID 104725719

IUPAC5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2cc(N)ccc2C)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-8-3-4-10(18)6-11(8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyCUQNQAWVIVISBH-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds2

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

5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide (PubChem CID 104725719) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
PubChem CID104725719
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2cc(N)ccc2C)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-8-3-4-10(18)6-11(8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyCUQNQAWVIVISBH-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

5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide (CID 104725719) is 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide is Cc1cc(Cl)c(NC(=O)c2cc(N)ccc2C)cc1Cl.
What is the InChIKey of 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide?
The InChIKey is CUQNQAWVIVISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-3-4-10(18)6-11(8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide?
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-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 5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 104725719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).