(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate

C17H16ClNO4 — CID 1409589

IUPAC(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-12-9-14(7-8-15(12)18)22-11-17(21)23-10-16(20)19-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKOUPJXOBMHXYLE-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.21
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate

(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 1409589) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID1409589
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-12-9-14(7-8-15(12)18)22-11-17(21)23-10-16(20)19-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKOUPJXOBMHXYLE-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-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273717
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate (CID 1409589) is (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is KOUPJXOBMHXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-12-9-14(7-8-15(12)18)22-11-17(21)23-10-16(20)19-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate?
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)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-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 1409589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).