[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C17H16ClNO4 — CID 7840241

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-7-2-4-12(8-15)9-17(21)23-11-16(20)19-14-6-3-5-13(18)10-14/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyMAORMWHUZWYJNZ-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.07
Rot. Bonds6

About [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840241) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID7840241
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-7-2-4-12(8-15)9-17(21)23-11-16(20)19-14-6-3-5-13(18)10-14/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyMAORMWHUZWYJNZ-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792855
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792849
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840025
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840313
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834157

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 7840241) is [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is MAORMWHUZWYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-15-7-2-4-12(8-15)9-17(21)23-11-16(20)19-14-6-3-5-13(18)10-14/h2-8,10H,9,11H2,1H3,(H,19,20).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 333.77 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).