2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide

C16H22ClFN2O — CID 110279243

IUPAC2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
SMILESCN(C)CC1CCCCC1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-20(2)10-11-6-3-4-9-14(11)19-16(21)15-12(17)7-5-8-13(15)18/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,19,21)
InChIKeyZFOSJNMFYQLEPM-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.33
Rot. Bonds4

About 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide

2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide (PubChem CID 110279243) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
PubChem CID110279243
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
SMILESCN(C)CC1CCCCC1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-20(2)10-11-6-3-4-9-14(11)19-16(21)15-12(17)7-5-8-13(15)18/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,19,21)
InChIKeyZFOSJNMFYQLEPM-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
CID 55151966
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[2-[(dimethylamino)methyl]cyclohexyl]naphthalene-2-carboxamide
CID 110279247
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide (CID 110279243) is 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide is CN(C)CC1CCCCC1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide?
The InChIKey is ZFOSJNMFYQLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-20(2)10-11-6-3-4-9-14(11)19-16(21)15-12(17)7-5-8-13(15)18/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide?
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide has a molecular weight of 312.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide is sourced from PubChem (CID 110279243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).