4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride

C22H28ClFN2O — CID 68605128

IUPAC4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2cc(CNCCC3CCCCC3)ccc2F)cc1
InChIInChI=1S/C22H27FN2O.ClH/c23-21-11-6-17(15-25-13-12-16-4-2-1-3-5-16)14-20(21)18-7-9-19(10-8-18)22(24)26;/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26);1H
InChIKeyJZSBTQXRTFKVQM-UHFFFAOYSA-N
MW390.93 g/mol
LogP5.07
Rot. Bonds7

About 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride

4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride (PubChem CID 68605128) has the molecular formula C22H28ClFN2O and a molecular weight of 390.93 g/mol. Its IUPAC name is 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
PubChem CID68605128
Molecular FormulaC22H28ClFN2O
Molecular Weight390.93 g/mol
Exact Mass390.19
IUPAC Name4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2cc(CNCCC3CCCCC3)ccc2F)cc1
InChIInChI=1S/C22H27FN2O.ClH/c23-21-11-6-17(15-25-13-12-16-4-2-1-3-5-16)14-20(21)18-7-9-19(10-8-18)22(24)26;/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26);1H
InChIKeyJZSBTQXRTFKVQM-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.93
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride 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-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide
CID 58276415
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide
CID 25216968
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
5-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107880286
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111947687
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111947686
4-[(4-cyclopentylbutylamino)methyl]benzoic acid
CID 122031644

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride?
The IUPAC name of 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride (CID 68605128) is 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride?
The canonical SMILES for 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride is Cl.NC(=O)c1ccc(-c2cc(CNCCC3CCCCC3)ccc2F)cc1.
What is the InChIKey of 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride?
The InChIKey is JZSBTQXRTFKVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O.ClH/c23-21-11-6-17(15-25-13-12-16-4-2-1-3-5-16)14-20(21)18-7-9-19(10-8-18)22(24)26;/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26);1H.
What are the key properties of 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride?
4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride is sourced from PubChem (CID 68605128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).