[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate

C17H15Cl2NO4 — CID 55422486

IUPAC[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-11(17(22)20-15-8-3-2-7-14(15)19)24-16(21)10-23-13-6-4-5-12(18)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyCDRMYQIFFZUYOK-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.94
Rot. Bonds6

About [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate (PubChem CID 55422486) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
PubChem CID55422486
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-11(17(22)20-15-8-3-2-7-14(15)19)24-16(21)10-23-13-6-4-5-12(18)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyCDRMYQIFFZUYOK-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982728
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982982
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 46623604
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 55418976
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 42985973
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8526227
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 7709524
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982646
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18282499
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate (CID 55422486) is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate is CC(OC(=O)COc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
The InChIKey is CDRMYQIFFZUYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-11(17(22)20-15-8-3-2-7-14(15)19)24-16(21)10-23-13-6-4-5-12(18)9-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate?
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate has a molecular weight of 368.22 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 55422486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).