2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide

C20H20F3NO4 — CID 176829467

IUPAC2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide
SMILESO=C(CC1(COCc2ccccc2)OCCO1)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C20H20F3NO4/c21-15-8-17(22)16(18(23)9-15)11-24-19(25)10-20(27-6-7-28-20)13-26-12-14-4-2-1-3-5-14/h1-5,8-9H,6-7,10-13H2,(H,24,25)
InChIKeyVDKZIQFDDCFIIL-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.07
Rot. Bonds8

About 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide

2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide (PubChem CID 176829467) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide
PubChem CID176829467
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide
SMILESO=C(CC1(COCc2ccccc2)OCCO1)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C20H20F3NO4/c21-15-8-17(22)16(18(23)9-15)11-24-19(25)10-20(27-6-7-28-20)13-26-12-14-4-2-1-3-5-14/h1-5,8-9H,6-7,10-13H2,(H,24,25)
InChIKeyVDKZIQFDDCFIIL-UHFFFAOYSA-N
XLogP3.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide
CID 118264937
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
(2R,6S)-2,6-dimethyl-8,10-dioxo-9-phenylmethoxy-11-[(2,4,6-trifluorophenyl)methylcarbamoyl]-2,3,6,7-tetrahydropyrido[1,2-b][1,2,5]triazecine-1-carboxylic acid
CID 174052697
benzyl N-(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
CID 172615311
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
(1S,10S)-12,12-difluoro-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145548
(1S,12R)-12-hydroxy-12-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155146000

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide (CID 176829467) is 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide is O=C(CC1(COCc2ccccc2)OCCO1)NCc1c(F)cc(F)cc1F.
What is the InChIKey of 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide?
The InChIKey is VDKZIQFDDCFIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c21-15-8-17(22)16(18(23)9-15)11-24-19(25)10-20(27-6-7-28-20)13-26-12-14-4-2-1-3-5-14/h1-5,8-9H,6-7,10-13H2,(H,24,25).
What are the key properties of 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide?
2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide is sourced from PubChem (CID 176829467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).