N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide

C15H16FNO2 — CID 57445692

IUPACN-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CCCC2)cc1F
InChIInChI=1S/C15H16FNO2/c1-2-9-19-14-8-7-11(10-13(14)16)15(18)17-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9H2,(H,17,18)
InChIKeyGJJVIJABEMIGSP-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.51
Rot. Bonds4

About N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide

N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide (PubChem CID 57445692) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
PubChem CID57445692
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CCCC2)cc1F
InChIInChI=1S/C15H16FNO2/c1-2-9-19-14-8-7-11(10-13(14)16)15(18)17-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9H2,(H,17,18)
InChIKeyGJJVIJABEMIGSP-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride
CID 68772863
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
CID 82069915
N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290503
3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 59290522
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290535

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide (CID 57445692) is N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NC2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide?
The InChIKey is GJJVIJABEMIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-9-19-14-8-7-11(10-13(14)16)15(18)17-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9H2,(H,17,18).
What are the key properties of N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide?
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide has a molecular weight of 261.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).