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

C15H18FNO3 — CID 114511373

IUPAC4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-2-9-7-12(13(8-9)15(19)20)14(18)17-11-5-3-10(16)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLEHRJBFWXSBCNJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.90
Rot. Bonds4

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

4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511373) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511373
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-2-9-7-12(13(8-9)15(19)20)14(18)17-11-5-3-10(16)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLEHRJBFWXSBCNJ-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511906
(1R,6R)-6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 802021
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
trans-(1S,2S)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100101
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
cis-(1S,2R)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100099
4-ethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114931912
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511373) is 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LEHRJBFWXSBCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-9-7-12(13(8-9)15(19)20)14(18)17-11-5-3-10(16)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).