[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C17H16ClNO4 — CID 7803920

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO4/c1-12-4-2-6-14(8-12)19-16(20)10-23-17(21)11-22-15-7-3-5-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyOEWNQUJQVXVMGC-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.21
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 7803920) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID7803920
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO4/c1-12-4-2-6-14(8-12)19-16(20)10-23-17(21)11-22-15-7-3-5-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyOEWNQUJQVXVMGC-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(3-chloroanilino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684346
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 7803920) is [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is Cc1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is OEWNQUJQVXVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-12-4-2-6-14(8-12)19-16(20)10-23-17(21)11-22-15-7-3-5-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 333.77 g/mol, XLogP of 3.21, 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] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).