3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H18FNO3 — CID 103550638

IUPAC3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-2-17(13-6-4-3-5-12(13)16)14(18)10-7-8-11(9-10)15(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,19,20)
InChIKeyZMJPBJDQOUKMPH-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.68
Rot. Bonds4

About 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550638) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550638
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-2-17(13-6-4-3-5-12(13)16)14(18)10-7-8-11(9-10)15(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,19,20)
InChIKeyZMJPBJDQOUKMPH-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030847
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119032
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550638) is 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(C(=O)C1CCC(C(=O)O)C1)c1ccccc1F.
What is the InChIKey of 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZMJPBJDQOUKMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-17(13-6-4-3-5-12(13)16)14(18)10-7-8-11(9-10)15(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).