N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide

C17H16ClFN2O2 — CID 38632222

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c1-21(17(23)10-12-5-4-6-13(19)9-12)11-16(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyMXCCKFKJKSYACX-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide (PubChem CID 38632222) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
PubChem CID38632222
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c1-21(17(23)10-12-5-4-6-13(19)9-12)11-16(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyMXCCKFKJKSYACX-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55789087
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(2-chlorophenyl)-2-[(3-fluorophenyl)methylamino]acetamide
CID 28970696
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide (CID 38632222) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide?
The InChIKey is MXCCKFKJKSYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-21(17(23)10-12-5-4-6-13(19)9-12)11-16(22)20-15-8-3-2-7-14(15)18/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide has a molecular weight of 334.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 38632222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).