5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid

C13H15Cl2NO3 — CID 3527974

IUPAC5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
SMILESCCC(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-8(13(18)19)3-6-12(17)16-11-5-4-9(14)7-10(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLPGUYIBZABPAC-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.82
Rot. Bonds6

About 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid

5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid (PubChem CID 3527974) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
PubChem CID3527974
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
SMILESCCC(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-8(13(18)19)3-6-12(17)16-11-5-4-9(14)7-10(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLPGUYIBZABPAC-UHFFFAOYSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
5-(4-chloroanilino)-2-ethyl-5-oxopentanoic acid
CID 112517527
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
(2S)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937397
(2R)-5-(2-chloroanilino)-2-ethyl-5-oxopentanoate
CID 6937398
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid (CID 3527974) is 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid is CCC(CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid?
The InChIKey is JLPGUYIBZABPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-2-8(13(18)19)3-6-12(17)16-11-5-4-9(14)7-10(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid?
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid is sourced from PubChem (CID 3527974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).