N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide

C15H19F2NO — CID 124811505

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO/c1-9-5-3-8-13(10(9)2)18-15(19)14-11(16)6-4-7-12(14)17/h4,6-7,9-10,13H,3,5,8H2,1-2H3,(H,18,19)/t9-,10+,13-/m1/s1
InChIKeyBGNURWWVENGVGO-GBIKHYSHSA-N
MW267.32 g/mol
LogP3.52
Rot. Bonds2

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide (PubChem CID 124811505) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
PubChem CID124811505
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO/c1-9-5-3-8-13(10(9)2)18-15(19)14-11(16)6-4-7-12(14)17/h4,6-7,9-10,13H,3,5,8H2,1-2H3,(H,18,19)/t9-,10+,13-/m1/s1
InChIKeyBGNURWWVENGVGO-GBIKHYSHSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 11907161
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide (CID 124811505) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide?
The InChIKey is BGNURWWVENGVGO-GBIKHYSHSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9-5-3-8-13(10(9)2)18-15(19)14-11(16)6-4-7-12(14)17/h4,6-7,9-10,13H,3,5,8H2,1-2H3,(H,18,19)/t9-,10+,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide has a molecular weight of 267.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide is sourced from PubChem (CID 124811505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).