4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide

C22H27FN2O — CID 58276415

IUPAC4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(F)c(CNCCC3CCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O/c23-21-11-10-19(17-6-8-18(9-7-17)22(24)26)14-20(21)15-25-13-12-16-4-2-1-3-5-16/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26)
InChIKeyDCYULRLDSMKZSH-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.65
Rot. Bonds7

About 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide

4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide (PubChem CID 58276415) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide
PubChem CID58276415
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(F)c(CNCCC3CCCCC3)c2)cc1
InChIInChI=1S/C22H27FN2O/c23-21-11-10-19(17-6-8-18(9-7-17)22(24)26)14-20(21)15-25-13-12-16-4-2-1-3-5-16/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26)
InChIKeyDCYULRLDSMKZSH-UHFFFAOYSA-N
XLogP4.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(2-cyclohexylethylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68605128
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
2-cyclopentyl-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 113263535
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
[2-[(2-cyclohexylethylamino)methyl]phenyl]urea;hydrochloride
CID 162332633
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
4-chloro-3-[5-[(2-cyclohexylethylamino)methyl]-2-pyridinyl]benzamide
CID 25216968

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide?
The IUPAC name of 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide (CID 58276415) is 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide.
What is the SMILES notation for 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide?
The canonical SMILES for 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide is NC(=O)c1ccc(-c2ccc(F)c(CNCCC3CCCCC3)c2)cc1.
What is the InChIKey of 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide?
The InChIKey is DCYULRLDSMKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-21-11-10-19(17-6-8-18(9-7-17)22(24)26)14-20(21)15-25-13-12-16-4-2-1-3-5-16/h6-11,14,16,25H,1-5,12-13,15H2,(H2,24,26).
What are the key properties of 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide?
4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide has a molecular weight of 354.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-cyclohexylethylamino)methyl]-4-fluorophenyl]benzamide is sourced from PubChem (CID 58276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).