N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide

C18H26FNO — CID 55923475

IUPACN-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO/c1-14(16-8-10-17(19)11-9-16)13-18(21)20-12-4-7-15-5-2-3-6-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,21)
InChIKeyBMABMJORKVQDHQ-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.41
Rot. Bonds7

About N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide

N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide (PubChem CID 55923475) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
PubChem CID55923475
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO/c1-14(16-8-10-17(19)11-9-16)13-18(21)20-12-4-7-15-5-2-3-6-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,21)
InChIKeyBMABMJORKVQDHQ-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111464091
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
ethyl 3-[[(3S)-3-(4-fluorophenyl)butanoyl]amino]propanoate
CID 94800030
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 134050125
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide (CID 55923475) is N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide is CC(CC(=O)NCCCC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide?
The InChIKey is BMABMJORKVQDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-14(16-8-10-17(19)11-9-16)13-18(21)20-12-4-7-15-5-2-3-6-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,21).
What are the key properties of N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide?
N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide has a molecular weight of 291.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 55923475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).