[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate

C18H18ClNO4 — CID 7841565

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-13-7-8-14(11-16(13)19)20-17(21)12-24-18(22)9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyARTYBVDMPSGLDV-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.60
Rot. Bonds7

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

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 7841565) 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] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
PubChem CID7841565
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-13-7-8-14(11-16(13)19)20-17(21)12-24-18(22)9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyARTYBVDMPSGLDV-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate 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-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-(3-methoxyanilino)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate
CID 17261857
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31654142
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 5-[4-(2-chlorophenoxy)anilino]-5-oxopentanoate
CID 17258649
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139425
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate (CID 7841565) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate is Cc1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is ARTYBVDMPSGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-13-7-8-14(11-16(13)19)20-17(21)12-24-18(22)9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 347.80 g/mol, XLogP of 3.60, 7 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] 3-phenoxypropanoate is sourced from PubChem (CID 7841565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).