3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide

C18H17ClF2N2O2 — CID 113135356

IUPAC3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(18-15(20)7-4-8-16(18)21)10-9-17(25)22-11-13-5-2-3-6-14(13)19/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyHMPACTRWSHPZLS-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.68
Rot. Bonds6

About 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide

3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113135356) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113135356
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(18-15(20)7-4-8-16(18)21)10-9-17(25)22-11-13-5-2-3-6-14(13)19/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyHMPACTRWSHPZLS-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)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-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
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
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
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

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide (CID 113135356) is 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is HMPACTRWSHPZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-12(24)23(18-15(20)7-4-8-16(18)21)10-9-17(25)22-11-13-5-2-3-6-14(13)19/h2-8H,9-11H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide?
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 366.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).