3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide

C19H20ClFN2O2 — CID 113128131

IUPAC3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O2/c1-13-5-3-4-6-15(13)12-22-19(25)9-10-23(14(2)24)16-7-8-18(21)17(20)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyULHFHJJVQAXHIO-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.85
Rot. Bonds6

About 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113128131) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113128131
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O2/c1-13-5-3-4-6-15(13)12-22-19(25)9-10-23(14(2)24)16-7-8-18(21)17(20)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyULHFHJJVQAXHIO-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-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-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113131951
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 113128131) is 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is ULHFHJJVQAXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-13-5-3-4-6-15(13)12-22-19(25)9-10-23(14(2)24)16-7-8-18(21)17(20)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 362.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113128131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).