ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate

C12H15Cl2NO3 — CID 103232249

IUPACethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-12(17)6-9(16)7-15-11-4-3-8(13)5-10(11)14/h3-5,9,15-16H,2,6-7H2,1H3
InChIKeyWAAQLAZQZZYUTI-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.72
Rot. Bonds6

About ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate

ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate (PubChem CID 103232249) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
PubChem CID103232249
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Nameethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-12(17)6-9(16)7-15-11-4-3-8(13)5-10(11)14/h3-5,9,15-16H,2,6-7H2,1H3
InChIKeyWAAQLAZQZZYUTI-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3,5-dichloro-4-fluoroanilino)-3-hydroxybutanoate
CID 107575620
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
ethyl 2-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 8604540
ethyl 4-(3-cyano-4-fluoroanilino)-3-hydroxybutanoate
CID 103247889
ethyl 4-[3-(2,4-dichloroanilino)propanoyl]piperazine-1-carboxylate
CID 109029107
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
ethyl 3-hydroxy-4-(3-iodoanilino)butanoate
CID 103236703
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate
CID 103255776

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate (CID 103232249) is ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate is CCOC(=O)CC(O)CNc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate?
The InChIKey is WAAQLAZQZZYUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-2-18-12(17)6-9(16)7-15-11-4-3-8(13)5-10(11)14/h3-5,9,15-16H,2,6-7H2,1H3.
What are the key properties of ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate?
ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate has a molecular weight of 292.16 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate is sourced from PubChem (CID 103232249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).