2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C17H15ClF2N2O2 — CID 7719443

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c1-22(10-16(23)21-12-5-2-4-11(19)8-12)17(24)9-13-14(18)6-3-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyAQVUQIWEEBOEKM-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 7719443) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID7719443
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c1-22(10-16(23)21-12-5-2-4-11(19)8-12)17(24)9-13-14(18)6-3-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyAQVUQIWEEBOEKM-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9197047
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 9439693

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 7719443) is 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is AQVUQIWEEBOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-22(10-16(23)21-12-5-2-4-11(19)8-12)17(24)9-13-14(18)6-3-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 352.77 g/mol, XLogP of 3.26, 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-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 7719443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).