2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C13H14FNO3 — CID 60792833

IUPAC2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c14-9-3-1-8(2-4-9)5-6-15-12(16)10-7-11(10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18)
InChIKeyCVYDAYAIEHHDGE-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60792833) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60792833
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c14-9-3-1-8(2-4-9)5-6-15-12(16)10-7-11(10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18)
InChIKeyCVYDAYAIEHHDGE-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
2-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165433
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137792
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60792833) is 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CVYDAYAIEHHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-9-3-1-8(2-4-9)5-6-15-12(16)10-7-11(10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).