[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

C18H18ClNO4 — CID 8867150

IUPAC[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO4/c1-12-4-3-5-15(10-12)20-17(21)11-23-18(22)13(2)24-16-8-6-14(19)7-9-16/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyQLOADLJWMZPMCR-CYBMUJFWSA-N
MW347.80 g/mol
LogP3.60
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 8867150) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID8867150
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO4/c1-12-4-3-5-15(10-12)20-17(21)11-23-18(22)13(2)24-16-8-6-14(19)7-9-16/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyQLOADLJWMZPMCR-CYBMUJFWSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865297
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865308
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 23995591
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864971
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737814
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868050
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867019

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (CID 8867150) is [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is Cc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is QLOADLJWMZPMCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-4-3-5-15(10-12)20-17(21)11-23-18(22)13(2)24-16-8-6-14(19)7-9-16/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 347.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8867150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).