2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide

C15H13Cl2FN2O — CID 107574072

IUPAC2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-9-3-2-4-10(5-9)20-14(21)8-19-11-6-12(16)15(18)13(17)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFCJUVLSAAHGXPX-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide

2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide (PubChem CID 107574072) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
PubChem CID107574072
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-9-3-2-4-10(5-9)20-14(21)8-19-11-6-12(16)15(18)13(17)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyFCJUVLSAAHGXPX-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573991
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide (CID 107574072) is 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNc2cc(Cl)c(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is FCJUVLSAAHGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-9-3-2-4-10(5-9)20-14(21)8-19-11-6-12(16)15(18)13(17)7-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide?
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 327.19 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 107574072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).