N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide

C16H22F2N2O — CID 165361669

IUPACN-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChIKeyNKTBCDDEERGNEI-GJZGRUSLSA-N
MW296.36 g/mol
LogP2.91
Rot. Bonds3

About N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide

N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 165361669) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
PubChem CID165361669
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChIKeyNKTBCDDEERGNEI-GJZGRUSLSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide 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

3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
CID 23349757
2-(3,4-difluorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 165362286
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
4-azido-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide
CID 23349774
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide (CID 165361669) is N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide is CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is NKTBCDDEERGNEI-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 165361669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).