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

C13H11F2NO3 — CID 5270600

IUPAC2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2cccc(F)c2F)CCC1
InChIInChI=1S/C13H11F2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-6H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyYJUMDCCHISBTDM-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.47
Rot. Bonds3

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

2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 5270600) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID5270600
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2cccc(F)c2F)CCC1
InChIInChI=1S/C13H11F2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-6H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyYJUMDCCHISBTDM-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Phenylphenyl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
CID 9948506
2-[(2,6-Difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 5270598
2-[(2,3,4-Trifluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 5270712
(2Z)-4-(4-Fluoroanilino)-4-oxobut-2-enoic acid
CID 1551046
(E)-4-(2,5-difluoroanilino)-4-oxobut-2-enoic acid
CID 5940138
2-(3,5,2''-Trifluoro-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084723
(Z)-4-(2-fluoroanilino)-4-oxobut-2-enoic acid
CID 1581622
5-Acetamido-2-fluorobenzoic acid
CID 19261749
3-Acetamido-4-fluorobenzoic acid
CID 45792228
6-Fluoro-2-hydroxyquinoline-4-carboxylic acid
CID 21220809
4'-Fluoromaleanilic acid
CID 686484
2-[[3-(Trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 1431318

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid (CID 5270600) is 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2cccc(F)c2F)CCC1.
What is the InChIKey of 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is YJUMDCCHISBTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-6H,1,3-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid?
2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 5270600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).