N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide

C17H17ClF2N2O — CID 109033275

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClF2N2O/c18-13-3-1-2-12(10-13)6-8-22-17(23)7-9-21-16-5-4-14(19)11-15(16)20/h1-5,10-11,21H,6-9H2,(H,22,23)
InChIKeyJVIYYNZLVAMHSD-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide (PubChem CID 109033275) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
PubChem CID109033275
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClF2N2O/c18-13-3-1-2-12(10-13)6-8-22-17(23)7-9-21-16-5-4-14(19)11-15(16)20/h1-5,10-11,21H,6-9H2,(H,22,23)
InChIKeyJVIYYNZLVAMHSD-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide (CID 109033275) is N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)cc1F)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide?
The InChIKey is JVIYYNZLVAMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c18-13-3-1-2-12(10-13)6-8-22-17(23)7-9-21-16-5-4-14(19)11-15(16)20/h1-5,10-11,21H,6-9H2,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide has a molecular weight of 338.79 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide is sourced from PubChem (CID 109033275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).