4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide

C15H19FN2O — CID 126811874

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NCCC2=CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-10-12(15(17)19)6-7-14(13)18-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H2,17,19)
InChIKeyFHJPJRMIGKVBMR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide

4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide (PubChem CID 126811874) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
PubChem CID126811874
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NCCC2=CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-10-12(15(17)19)6-7-14(13)18-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H2,17,19)
InChIKeyFHJPJRMIGKVBMR-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide 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

4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078
4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
ethyl 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 100620771
4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
3-bromo-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]benzamide
CID 107489144
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108959420
4-[2-(cyclohexen-1-yl)ethylamino]-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99978619

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide (CID 126811874) is 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide is NC(=O)c1ccc(NCCC2=CCCCC2)c(F)c1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide?
The InChIKey is FHJPJRMIGKVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-10-12(15(17)19)6-7-14(13)18-9-8-11-4-2-1-3-5-11/h4,6-7,10,18H,1-3,5,8-9H2,(H2,17,19).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide?
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide has a molecular weight of 262.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide is sourced from PubChem (CID 126811874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).