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

C13H13F2NO3 — CID 115165431

IUPAC2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3/c14-8-2-1-7(11(15)5-8)3-4-16-12(17)9-6-10(9)13(18)19/h1-2,5,9-10H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyXHIRFBGPUXDEBK-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.34
Rot. Bonds5

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

2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 115165431) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID115165431
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO3/c14-8-2-1-7(11(15)5-8)3-4-16-12(17)9-6-10(9)13(18)19/h1-2,5,9-10H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyXHIRFBGPUXDEBK-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
trans-(1R,2R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625878
trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625877
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 56789792
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
2-[2-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165425
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 115165431) is 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XHIRFBGPUXDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-8-2-1-7(11(15)5-8)3-4-16-12(17)9-6-10(9)13(18)19/h1-2,5,9-10H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115165431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).