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

C18H18ClNO4 — CID 7871123

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-23-16-9-5-2-6-13(16)10-11-18(22)24-12-17(21)20-15-8-4-3-7-14(15)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeySNJIWIBREFNDRV-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.46
Rot. Bonds7

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

[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 7871123) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID7871123
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-23-16-9-5-2-6-13(16)10-11-18(22)24-12-17(21)20-15-8-4-3-7-14(15)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeySNJIWIBREFNDRV-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
[2-(2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524361
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871005
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524359
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524255
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 7871123) is [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is SNJIWIBREFNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-16-9-5-2-6-13(16)10-11-18(22)24-12-17(21)20-15-8-4-3-7-14(15)19/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 347.80 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).