[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H16ClNO4 — CID 2337929

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-4-2-3-14(10-15)19-16(20)11-23-17(21)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyGUAPXRLPGVKXSY-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.07
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2337929) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2337929
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4/c1-22-15-4-2-3-14(10-15)19-16(20)11-23-17(21)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyGUAPXRLPGVKXSY-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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2337929) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is COc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is GUAPXRLPGVKXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-15-4-2-3-14(10-15)19-16(20)11-23-17(21)9-12-5-7-13(18)8-6-12/h2-8,10H,9,11H2,1H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)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-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).