2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

C16H21F2NO4 — CID 91791837

IUPAC2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H21F2NO4/c1-19(10-16(11-20)6-8-22-9-7-16)14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,20H,6-11H2,1H3
InChIKeyYANYQESIPXIMGE-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.15
Rot. Bonds6

About 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (PubChem CID 91791837) has the molecular formula C16H21F2NO4 and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
PubChem CID91791837
Molecular FormulaC16H21F2NO4
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Name2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H21F2NO4/c1-19(10-16(11-20)6-8-22-9-7-16)14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,20H,6-11H2,1H3
InChIKeyYANYQESIPXIMGE-UHFFFAOYSA-N
XLogP2.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91769756
2-(difluoromethoxy)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102634779
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
CID 114969252
N-cyclopropyl-2-(difluoromethoxy)-N-(2-hydroxyethyl)benzamide
CID 43576922
2-(difluoromethoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 42052918
3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 122111558
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 119060920
(2S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126427661

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (CID 91791837) is 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is CN(CC1(CO)CCOCC1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The InChIKey is YANYQESIPXIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO4/c1-19(10-16(11-20)6-8-22-9-7-16)14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,20H,6-11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide has a molecular weight of 329.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 91791837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).