2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide

C16H14F2N2O4 — CID 18085786

IUPAC2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O4/c1-23-10-3-4-11(16(19)22)14(7-10)24-8-15(21)20-9-2-5-12(17)13(18)6-9/h2-7H,8H2,1H3,(H2,19,22)(H,20,21)
InChIKeyVUHZGMAUIOGFBG-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.09
Rot. Bonds6

About 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide

2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 18085786) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide
PubChem CID18085786
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O4/c1-23-10-3-4-11(16(19)22)14(7-10)24-8-15(21)20-9-2-5-12(17)13(18)6-9/h2-7H,8H2,1H3,(H2,19,22)(H,20,21)
InChIKeyVUHZGMAUIOGFBG-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 18085820
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
4-methoxy-2-[2-oxo-2-(2-phenoxyanilino)ethoxy]benzamide
CID 17478551
[2-(3,4-difluoroanilino)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653913
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide (CID 18085786) is 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is VUHZGMAUIOGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-23-10-3-4-11(16(19)22)14(7-10)24-8-15(21)20-9-2-5-12(17)13(18)6-9/h2-7H,8H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide?
2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 336.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 18085786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).