2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide

C16H15ClF2N2O3 — CID 31054802

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCOc1cc(NCC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl
InChIInChI=1S/C16H15ClF2N2O3/c1-23-13-7-12(14(24-2)6-9(13)17)20-8-15(22)21-16-10(18)4-3-5-11(16)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyYQXKMCWCCUYORW-UHFFFAOYSA-N
MW356.76 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 31054802) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
PubChem CID31054802
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCOc1cc(NCC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl
InChIInChI=1S/C16H15ClF2N2O3/c1-23-13-7-12(14(24-2)6-9(13)17)20-8-15(22)21-16-10(18)4-3-5-11(16)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyYQXKMCWCCUYORW-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956907
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997009
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide (CID 31054802) is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide is COc1cc(NCC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is YQXKMCWCCUYORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c1-23-13-7-12(14(24-2)6-9(13)17)20-8-15(22)21-16-10(18)4-3-5-11(16)19/h3-7,20H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 356.76 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 31054802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).