3-cyclopentyl-3-(3,5-difluorophenyl)propanamide

C14H17F2NO — CID 82088149

IUPAC3-cyclopentyl-3-(3,5-difluorophenyl)propanamide
SMILESNC(=O)CC(c1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C14H17F2NO/c15-11-5-10(6-12(16)7-11)13(8-14(17)18)9-3-1-2-4-9/h5-7,9,13H,1-4,8H2,(H2,17,18)
InChIKeyLWOHCPXDZFJNRZ-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.11
Rot. Bonds4

About 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide

3-cyclopentyl-3-(3,5-difluorophenyl)propanamide (PubChem CID 82088149) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-3-(3,5-difluorophenyl)propanamide
PubChem CID82088149
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name3-cyclopentyl-3-(3,5-difluorophenyl)propanamide
SMILESNC(=O)CC(c1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C14H17F2NO/c15-11-5-10(6-12(16)7-11)13(8-14(17)18)9-3-1-2-4-9/h5-7,9,13H,1-4,8H2,(H2,17,18)
InChIKeyLWOHCPXDZFJNRZ-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
(1R,5R)-1,5-di(cyclobutyl)-1,5-bis(3,4,5-trifluorophenyl)pentan-3-one
CID 97304173
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
CID 82089979
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
CID 116608885
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide?
The IUPAC name of 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide (CID 82088149) is 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide is NC(=O)CC(c1cc(F)cc(F)c1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide?
The InChIKey is LWOHCPXDZFJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-5-10(6-12(16)7-11)13(8-14(17)18)9-3-1-2-4-9/h5-7,9,13H,1-4,8H2,(H2,17,18).
What are the key properties of 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide?
3-cyclopentyl-3-(3,5-difluorophenyl)propanamide has a molecular weight of 253.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 82088149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).