N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide

C15H18FNO2 — CID 103939869

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(O)cc1F
InChIInChI=1S/C15H18FNO2/c16-14-10-12(18)6-7-13(14)15(19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H,17,19)
InChIKeyGGGOCWJIHKAFNL-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 103939869) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
PubChem CID103939869
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(O)cc1F
InChIInChI=1S/C15H18FNO2/c16-14-10-12(18)6-7-13(14)15(19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H,17,19)
InChIKeyGGGOCWJIHKAFNL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
N-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,6-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109364617
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972660
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide (CID 103939869) is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide is O=C(NCCC1=CCCCC1)c1ccc(O)cc1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is GGGOCWJIHKAFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-10-12(18)6-7-13(14)15(19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 263.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 103939869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).