3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide

C17H18F2N2O — CID 109019551

IUPAC3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-16-6-5-14(18)10-15(16)19/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyOMEZUYXYABQZID-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.39
Rot. Bonds6

About 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019551) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019551
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-16-6-5-14(18)10-15(16)19/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyOMEZUYXYABQZID-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide 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

3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 109019551) is 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCNc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is OMEZUYXYABQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-16-6-5-14(18)10-15(16)19/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22).
What are the key properties of 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 304.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).