N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide

C17H17F2NO — CID 46591216

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-12(15-11-14(18)8-9-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)
InChIKeyRBNUJLLYGFEJAL-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide

N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 46591216) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
PubChem CID46591216
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO/c1-12(15-11-14(18)8-9-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)
InChIKeyRBNUJLLYGFEJAL-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide (CID 46591216) is N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide is CC(NC(=O)CCc1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is RBNUJLLYGFEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12(15-11-14(18)8-9-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide?
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 289.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 46591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).