4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

C14H14FNO3 — CID 79210093

IUPAC4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(C(=O)NC2C=CC(C(=O)O)C2)ccc1F
InChIInChI=1S/C14H14FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h2-6,10-11H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyODQTXWWPUAUQFD-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.89
Rot. Bonds3

About 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210093) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210093
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(C(=O)NC2C=CC(C(=O)O)C2)ccc1F
InChIInChI=1S/C14H14FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h2-6,10-11H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyODQTXWWPUAUQFD-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216940
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210197
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192506

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79210093) is 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is Cc1cc(C(=O)NC2C=CC(C(=O)O)C2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ODQTXWWPUAUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h2-6,10-11H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).