(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C17H24F2N2O2 — CID 97060565

IUPAC(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCC1(O)CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H24F2N2O2/c1-21(2)15(14-12(18)7-6-8-13(14)19)16(22)20-11-17(23)9-4-3-5-10-17/h6-8,15,23H,3-5,9-11H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyKKUVZGSLMFJOPG-HNNXBMFYSA-N
MW326.39 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 97060565) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID97060565
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCC1(O)CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H24F2N2O2/c1-21(2)15(14-12(18)7-6-8-13(14)19)16(22)20-11-17(23)9-4-3-5-10-17/h6-8,15,23H,3-5,9-11H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyKKUVZGSLMFJOPG-HNNXBMFYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 97060567
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 97060565) is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide is CN(C)[C@H](C(=O)NCC1(O)CCCCC1)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is KKUVZGSLMFJOPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-21(2)15(14-12(18)7-6-8-13(14)19)16(22)20-11-17(23)9-4-3-5-10-17/h6-8,15,23H,3-5,9-11H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 326.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 97060565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).