2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9F2NO3 — CID 3746803

IUPAC2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO3/c12-5-1-6(13)3-7(2-5)14-10(15)8-4-9(8)11(16)17/h1-3,8-9H,4H2,(H,14,15)(H,16,17)
InChIKeyFDIYXAWZVLZPIH-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.62
Rot. Bonds3

About 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 3746803) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID3746803
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO3/c12-5-1-6(13)3-7(2-5)14-10(15)8-4-9(8)11(16)17/h1-3,8-9H,4H2,(H,14,15)(H,16,17)
InChIKeyFDIYXAWZVLZPIH-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Glutaranilic acid
CID 223386
5-[(4-Fluorophenyl)amino]-5-oxopentanoic acid
CID 765145
(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
CID 7100107
4-(4-Fluoroanilino)-4-oxobutanoic acid
CID 306911
cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 7100106
6-[(3-Fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2865989
5-Oxo-5-[3-(trifluoromethyl)anilino]pentanoic acid
CID 684437
6-(Phenylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 564519
6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
CID 2886570
4-(2-Fluoroanilino)-4-oxobutanoic acid
CID 573893
6-[(2,4-Difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2931259
2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid
CID 3827524

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 3746803) is 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FDIYXAWZVLZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-5-1-6(13)3-7(2-5)14-10(15)8-4-9(8)11(16)17/h1-3,8-9H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 3746803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).