N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide

C17H17ClN2O3 — CID 9413480

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)10-14(15)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWSPUNPQZLLHCES-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 9413480) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID9413480
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)10-14(15)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWSPUNPQZLLHCES-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (CID 9413480) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide is COc1ccc(Cl)cc1NC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is WSPUNPQZLLHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(18)10-14(15)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 332.79 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9413480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).