2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide

C17H14Cl3FN2O2 — CID 29359193

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c1-23(17(25)8-11-12(18)3-2-4-15(11)21)9-16(24)22-10-5-6-13(19)14(20)7-10/h2-7H,8-9H2,1H3,(H,22,24)
InChIKeyNDFKOUNGKFOGQU-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.43
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 29359193) has the molecular formula C17H14Cl3FN2O2 and a molecular weight of 403.67 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID29359193
Molecular FormulaC17H14Cl3FN2O2
Molecular Weight403.67 g/mol
Exact Mass402.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c1-23(17(25)8-11-12(18)3-2-4-15(11)21)9-16(24)22-10-5-6-13(19)14(20)7-10/h2-7H,8-9H2,1H3,(H,22,24)
InChIKeyNDFKOUNGKFOGQU-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9197047
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56511069
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide (CID 29359193) is 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is NDFKOUNGKFOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O2/c1-23(17(25)8-11-12(18)3-2-4-15(11)21)9-16(24)22-10-5-6-13(19)14(20)7-10/h2-7H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 403.67 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 29359193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).