[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate

C17H16ClNO4 — CID 2507011

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-12-7-8-15(14(18)9-12)19-16(20)10-23-17(21)11-22-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyGHEVGZYWCGODDS-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.21
Rot. Bonds6

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2507011) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID2507011
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO4/c1-12-7-8-15(14(18)9-12)19-16(20)10-23-17(21)11-22-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyGHEVGZYWCGODDS-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-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 2524042
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853960
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132905
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229656
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate (CID 2507011) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate is Cc1ccc(NC(=O)COC(=O)COc2ccccc2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is GHEVGZYWCGODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-12-7-8-15(14(18)9-12)19-16(20)10-23-17(21)11-22-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate 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-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 2507011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).