3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide

C17H16ClF2NO — CID 43035582

IUPAC3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NO/c1-11(15-8-7-14(19)10-16(15)20)21-17(22)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10-11H,4,9H2,1H3,(H,21,22)
InChIKeyUHDAIQUAZMVDAS-UHFFFAOYSA-N
MW323.77 g/mol
LogP4.43
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide

3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide (PubChem CID 43035582) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
PubChem CID43035582
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NO/c1-11(15-8-7-14(19)10-16(15)20)21-17(22)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10-11H,4,9H2,1H3,(H,21,22)
InChIKeyUHDAIQUAZMVDAS-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 7484100
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide (CID 43035582) is 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide is CC(NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide?
The InChIKey is UHDAIQUAZMVDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-11(15-8-7-14(19)10-16(15)20)21-17(22)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10-11H,4,9H2,1H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide has a molecular weight of 323.77 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 43035582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).