N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride

C22H27Cl2FN2O — CID 21110207

IUPACN-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
SMILESCN(C)C(c1ccccc1Cl)C1CCCCC1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C22H26ClFN2O.ClH/c1-26(2)21(15-9-3-6-12-18(15)23)17-11-5-8-14-20(17)25-22(27)16-10-4-7-13-19(16)24;/h3-4,6-7,9-10,12-13,17,20-21H,5,8,11,14H2,1-2H3,(H,25,27);1H
InChIKeyITHAGXXJOOIQGU-UHFFFAOYSA-N
MW425.38 g/mol
LogP5.49
Rot. Bonds5

About N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride

N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride (PubChem CID 21110207) has the molecular formula C22H27Cl2FN2O and a molecular weight of 425.38 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
PubChem CID21110207
Molecular FormulaC22H27Cl2FN2O
Molecular Weight425.38 g/mol
Exact Mass424.15
IUPAC NameN-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
SMILESCN(C)C(c1ccccc1Cl)C1CCCCC1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C22H26ClFN2O.ClH/c1-26(2)21(15-9-3-6-12-18(15)23)17-11-5-8-14-20(17)25-22(27)16-10-4-7-13-19(16)24;/h3-4,6-7,9-10,12-13,17,20-21H,5,8,11,14H2,1-2H3,(H,25,27);1H
InChIKeyITHAGXXJOOIQGU-UHFFFAOYSA-N
XLogP5.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide
CID 10110864
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
CID 11737219
N-[2-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-fluorobenzamide
CID 174476150
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
2-chloro-N-cyclopentylbenzamide
CID 669043
2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride (CID 21110207) is N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride is CN(C)C(c1ccccc1Cl)C1CCCCC1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is ITHAGXXJOOIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O.ClH/c1-26(2)21(15-9-3-6-12-18(15)23)17-11-5-8-14-20(17)25-22(27)16-10-4-7-13-19(16)24;/h3-4,6-7,9-10,12-13,17,20-21H,5,8,11,14H2,1-2H3,(H,25,27);1H.
What are the key properties of N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride?
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 425.38 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 21110207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).