[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate

C18H18ClNO4 — CID 7488916

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO4/c1-12-3-8-15(9-16(12)19)20-17(21)11-24-18(22)14-6-4-13(5-7-14)10-23-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyIFJXMPBIALJSBF-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.59
Rot. Bonds6

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate (PubChem CID 7488916) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
PubChem CID7488916
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO4/c1-12-3-8-15(9-16(12)19)20-17(21)11-24-18(22)14-6-4-13(5-7-14)10-23-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyIFJXMPBIALJSBF-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588571
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588252
[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588243
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30811701
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 43024245
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 43029839
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-(methoxymethyl)benzoate
CID 7588473
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 4801727
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoate
CID 95788341

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate (CID 7488916) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The InChIKey is IFJXMPBIALJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-3-8-15(9-16(12)19)20-17(21)11-24-18(22)14-6-4-13(5-7-14)10-23-2/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate is sourced from PubChem (CID 7488916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).