2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C16H20FNO3 — CID 114390910

IUPAC2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CC(C)CC1C(=O)O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-3-18(14-7-5-4-6-13(14)17)15(19)11-8-10(2)9-12(11)16(20)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyAUEFTGHGAPJRLM-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.93
Rot. Bonds4

About 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390910) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390910
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CC(C)CC1C(=O)O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-3-18(14-7-5-4-6-13(14)17)15(19)11-8-10(2)9-12(11)16(20)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyAUEFTGHGAPJRLM-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030847
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 68709871
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
2-[(2-cyanophenyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391197

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390910) is 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCN(C(=O)C1CC(C)CC1C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is AUEFTGHGAPJRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-18(14-7-5-4-6-13(14)17)15(19)11-8-10(2)9-12(11)16(20)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).