2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide

C19H18F2N2O4 — CID 27781034

IUPAC2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)COc2ccccc2C#N)ccc1OC(F)F
InChIInChI=1S/C19H18F2N2O4/c1-23(18(24)12-26-15-6-4-3-5-14(15)10-22)11-13-7-8-16(27-19(20)21)17(9-13)25-2/h3-9,19H,11-12H2,1-2H3
InChIKeyQPLMREZRYZISCE-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.21
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide

2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide (PubChem CID 27781034) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
PubChem CID27781034
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)COc2ccccc2C#N)ccc1OC(F)F
InChIInChI=1S/C19H18F2N2O4/c1-23(18(24)12-26-15-6-4-3-5-14(15)10-22)11-13-7-8-16(27-19(20)21)17(9-13)25-2/h3-9,19H,11-12H2,1-2H3
InChIKeyQPLMREZRYZISCE-UHFFFAOYSA-N
XLogP3.21
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide (CID 27781034) is 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide is COc1cc(CN(C)C(=O)COc2ccccc2C#N)ccc1OC(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide?
The InChIKey is QPLMREZRYZISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-23(18(24)12-26-15-6-4-3-5-14(15)10-22)11-13-7-8-16(27-19(20)21)17(9-13)25-2/h3-9,19H,11-12H2,1-2H3.
What are the key properties of 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide?
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide has a molecular weight of 376.36 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 27781034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).