N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide

C17H24FNO3 — CID 111426079

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NCC(O)C1CCCC1
InChIInChI=1S/C17H24FNO3/c18-14-8-3-4-9-16(14)22-11-5-10-17(21)19-12-15(20)13-6-1-2-7-13/h3-4,8-9,13,15,20H,1-2,5-7,10-12H2,(H,19,21)
InChIKeyCLUGSFWYLMVFSC-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.65
Rot. Bonds8

About N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide (PubChem CID 111426079) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
PubChem CID111426079
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NCC(O)C1CCCC1
InChIInChI=1S/C17H24FNO3/c18-14-8-3-4-9-16(14)22-11-5-10-17(21)19-12-15(20)13-6-1-2-7-13/h3-4,8-9,13,15,20H,1-2,5-7,10-12H2,(H,19,21)
InChIKeyCLUGSFWYLMVFSC-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
CID 4123166

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide (CID 111426079) is N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide is O=C(CCCOc1ccccc1F)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide?
The InChIKey is CLUGSFWYLMVFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c18-14-8-3-4-9-16(14)22-11-5-10-17(21)19-12-15(20)13-6-1-2-7-13/h3-4,8-9,13,15,20H,1-2,5-7,10-12H2,(H,19,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide has a molecular weight of 309.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 111426079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).