2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

C17H16Cl2FN3O2 — CID 9037147

IUPAC2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c1-23(9-16(24)21-14-5-3-2-4-12(14)19)10-17(25)22-15-8-11(18)6-7-13(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyNRJSRPTZDBEYGB-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.64
Rot. Bonds6

About 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 9037147) has the molecular formula C17H16Cl2FN3O2 and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID9037147
Molecular FormulaC17H16Cl2FN3O2
Molecular Weight384.24 g/mol
Exact Mass383.06
IUPAC Name2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c1-23(9-16(24)21-14-5-3-2-4-12(14)19)10-17(25)22-15-8-11(18)6-7-13(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyNRJSRPTZDBEYGB-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 8768024
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 9037147) is 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is CN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is NRJSRPTZDBEYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2/c1-23(9-16(24)21-14-5-3-2-4-12(14)19)10-17(25)22-15-8-11(18)6-7-13(15)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 384.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 9037147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).