2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid

C15H18FNO2 — CID 79049578

IUPAC2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)C2CC=CCC2)c1
InChIInChI=1S/C15H18FNO2/c1-10-7-12(16)9-13(8-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-3,7-9,11,14,17H,4-6H2,1H3,(H,18,19)
InChIKeyOSCDVQYASNEKRV-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid

2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid (PubChem CID 79049578) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid
PubChem CID79049578
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)C2CC=CCC2)c1
InChIInChI=1S/C15H18FNO2/c1-10-7-12(16)9-13(8-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-3,7-9,11,14,17H,4-6H2,1H3,(H,18,19)
InChIKeyOSCDVQYASNEKRV-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid (CID 79049578) is 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid is Cc1cc(F)cc(NC(C(=O)O)C2CC=CCC2)c1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid?
The InChIKey is OSCDVQYASNEKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-7-12(16)9-13(8-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-3,7-9,11,14,17H,4-6H2,1H3,(H,18,19).
What are the key properties of 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid?
2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid has a molecular weight of 263.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid is sourced from PubChem (CID 79049578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).