[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate

C11H12ClNO4 — CID 2089660

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate
SMILESCOc1ccc(NC(=O)COC(C)=O)cc1Cl
InChIInChI=1S/C11H12ClNO4/c1-7(14)17-6-11(15)13-8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyCWBUJOJLMCSGCR-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.85
Rot. Bonds4

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate (PubChem CID 2089660) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate
PubChem CID2089660
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate
SMILESCOc1ccc(NC(=O)COC(C)=O)cc1Cl
InChIInChI=1S/C11H12ClNO4/c1-7(14)17-6-11(15)13-8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyCWBUJOJLMCSGCR-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
CID 94705
Zinc00711147
CID 1039828
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
5-(3-Chloro-4-methoxyanilino)-5-oxopentanoic acid
CID 2317183
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2429777
(4-{[2-(2,4-Dichlorophenoxy)propanoyl]amino}phenoxy)acetic acid
CID 2950746
N-(3-chloro-4-methoxyphenyl)-3-methyl-2-butenamide
CID 731858
N-[4-[5-(4-acetamido-2-chlorophenoxy)pentoxy]-3-chlorophenyl]acetamide
CID 44531032
Phenyl (3-chloro-4-methoxyphenyl)carbamate
CID 731707
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate (CID 2089660) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate is COc1ccc(NC(=O)COC(C)=O)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate?
The InChIKey is CWBUJOJLMCSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7(14)17-6-11(15)13-8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate has a molecular weight of 257.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 2089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).