2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C16H18FNO2 — CID 65434302

IUPAC2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H18FNO2/c17-15-11-14(8-7-13(15)6-3-9-19)18-16(20)10-12-4-1-2-5-12/h7-8,11-12,19H,1-2,4-5,9-10H2,(H,18,20)
InChIKeyAXKKHJLMRVZDDH-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.69
Rot. Bonds3

About 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 65434302) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID65434302
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H18FNO2/c17-15-11-14(8-7-13(15)6-3-9-19)18-16(20)10-12-4-1-2-5-12/h7-8,11-12,19H,1-2,4-5,9-10H2,(H,18,20)
InChIKeyAXKKHJLMRVZDDH-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
CID 65432741
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
CID 121325202
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide
CID 63333889
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 65434302) is 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is O=C(CC1CCCC1)Nc1ccc(C#CCO)c(F)c1.
What is the InChIKey of 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is AXKKHJLMRVZDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-15-11-14(8-7-13(15)6-3-9-19)18-16(20)10-12-4-1-2-5-12/h7-8,11-12,19H,1-2,4-5,9-10H2,(H,18,20).
What are the key properties of 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 275.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 65434302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).