2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide

C15H19FN2O — CID 62072440

IUPAC2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H19FN2O/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9,17H2,(H,18,19)
InChIKeyWAJMXDSFENXDPR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.03
Rot. Bonds4

About 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide

2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide (PubChem CID 62072440) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
PubChem CID62072440
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H19FN2O/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9,17H2,(H,18,19)
InChIKeyWAJMXDSFENXDPR-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-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

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
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]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide (CID 62072440) is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide?
The InChIKey is WAJMXDSFENXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9,17H2,(H,18,19).
What are the key properties of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide?
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide has a molecular weight of 262.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 62072440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).