[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C18H18ClNO4 — CID 2556272

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-12-15(19)4-3-5-16(12)20-17(21)11-24-18(22)10-13-6-8-14(23-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyNPQBBCHLISIKTC-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.38
Rot. Bonds6

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2556272) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2556272
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-12-15(19)4-3-5-16(12)20-17(21)11-24-18(22)10-13-6-8-14(23-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyNPQBBCHLISIKTC-UHFFFAOYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate with MolForge

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825839
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 27778647
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 1191652
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884459
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2556272) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is NPQBBCHLISIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-15(19)4-3-5-16(12)20-17(21)11-24-18(22)10-13-6-8-14(23-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2556272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).