N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide

C22H27FN2O — CID 174476150

IUPACN-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide
SMILESCN(C)c1ccccc1CC1CCCCC1NC(=O)c1ccccc1F
InChIInChI=1S/C22H27FN2O/c1-25(2)21-14-8-4-10-17(21)15-16-9-3-7-13-20(16)24-22(26)18-11-5-6-12-19(18)23/h4-6,8,10-12,14,16,20H,3,7,9,13,15H2,1-2H3,(H,24,26)
InChIKeyBQTDMCBLNCPQJB-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.42
Rot. Bonds5

About N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide

N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide (PubChem CID 174476150) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide
PubChem CID174476150
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide
SMILESCN(C)c1ccccc1CC1CCCCC1NC(=O)c1ccccc1F
InChIInChI=1S/C22H27FN2O/c1-25(2)21-14-8-4-10-17(21)15-16-9-3-7-13-20(16)24-22(26)18-11-5-6-12-19(18)23/h4-6,8,10-12,14,16,20H,3,7,9,13,15H2,1-2H3,(H,24,26)
InChIKeyBQTDMCBLNCPQJB-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide
CID 10110864
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
CID 21110207
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide (CID 174476150) is N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide is CN(C)c1ccccc1CC1CCCCC1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide?
The InChIKey is BQTDMCBLNCPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-25(2)21-14-8-4-10-17(21)15-16-9-3-7-13-20(16)24-22(26)18-11-5-6-12-19(18)23/h4-6,8,10-12,14,16,20H,3,7,9,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide?
N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide is sourced from PubChem (CID 174476150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).