5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid

C12H13Cl2NO3 — CID 62964001

IUPAC5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7(5-12(17)18)4-11(16)15-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyGZNQMUZUTIGGCU-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.43
Rot. Bonds5

About 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid

5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964001) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
PubChem CID62964001
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7(5-12(17)18)4-11(16)15-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyGZNQMUZUTIGGCU-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315
5-(2-chloro-5-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965555
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
5-(4-chloro-3-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62965409
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
(2S)-4-(2,5-dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
CID 7591851
(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591839
(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591841
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid (CID 62964001) is 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid?
The InChIKey is GZNQMUZUTIGGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-7(5-12(17)18)4-11(16)15-10-6-8(13)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid?
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid has a molecular weight of 290.15 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).