N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide

C14H19F2NO4 — CID 107482399

IUPACN-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCO)CC(F)F)c(OC)c1
InChIInChI=1S/C14H19F2NO4/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)17(5-6-18)9-13(15)16/h3-4,8,13,18H,5-7,9H2,1-2H3
InChIKeyOVKNRVUPXSJITE-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.33
Rot. Bonds8

About N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide

N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482399) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482399
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC NameN-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCO)CC(F)F)c(OC)c1
InChIInChI=1S/C14H19F2NO4/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)17(5-6-18)9-13(15)16/h3-4,8,13,18H,5-7,9H2,1-2H3
InChIKeyOVKNRVUPXSJITE-UHFFFAOYSA-N
XLogP1.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483052
(1S)-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 95622434

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide (CID 107482399) is N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide is COc1ccc(CC(=O)N(CCO)CC(F)F)c(OC)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is OVKNRVUPXSJITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)17(5-6-18)9-13(15)16/h3-4,8,13,18H,5-7,9H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide?
N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 303.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).