3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide

C17H18ClFN2O — CID 109019503

IUPAC3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-14-5-6-16(19)15(18)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyPQWXALMNYUMDII-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.91
Rot. Bonds6

About 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019503) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019503
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFN2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-14-5-6-16(19)15(18)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyPQWXALMNYUMDII-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-fluoroanilino)-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-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 109019503) is 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCNc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is PQWXALMNYUMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-3-2-4-13(9-12)11-21-17(22)7-8-20-14-5-6-16(19)15(18)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).