(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide

C12H12FNO2 — CID 129348991

IUPAC(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C12H12FNO2/c13-9-2-1-3-10(7-9)14-12(16)8-4-5-11(15)6-8/h1-3,7-8H,4-6H2,(H,14,16)/t8-/m1/s1
InChIKeyCLIYRYSGVINQIE-MRVPVSSYSA-N
MW221.23 g/mol
LogP2.13
Rot. Bonds2

About (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide

(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide (PubChem CID 129348991) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
PubChem CID129348991
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C12H12FNO2/c13-9-2-1-3-10(7-9)14-12(16)8-4-5-11(15)6-8/h1-3,7-8H,4-6H2,(H,14,16)/t8-/m1/s1
InChIKeyCLIYRYSGVINQIE-MRVPVSSYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
N-(3-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203099
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
3-[(3-fluorophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17379130
3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
CID 171323930
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide (CID 129348991) is (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide is O=C1CC[C@@H](C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide?
The InChIKey is CLIYRYSGVINQIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-9-2-1-3-10(7-9)14-12(16)8-4-5-11(15)6-8/h1-3,7-8H,4-6H2,(H,14,16)/t8-/m1/s1.
What are the key properties of (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide?
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 129348991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).