N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide

C17H16ClF2N3O2 — CID 4818872

IUPACN-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2N3O2/c1-23(9-16(24)21-13-5-2-11(18)3-6-13)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyTXQFORJCKWURIR-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.13
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 4818872) has the molecular formula C17H16ClF2N3O2 and a molecular weight of 367.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID4818872
Molecular FormulaC17H16ClF2N3O2
Molecular Weight367.78 g/mol
Exact Mass367.09
IUPAC NameN-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2N3O2/c1-23(9-16(24)21-13-5-2-11(18)3-6-13)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyTXQFORJCKWURIR-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-(4-chlorophenyl)-2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167331
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 99835722
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729343

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 4818872) is N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is TXQFORJCKWURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O2/c1-23(9-16(24)21-13-5-2-11(18)3-6-13)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 367.78 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 4818872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).