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

C11H11Cl2NO3 — CID 3516353

IUPAC5-(2,5-dichloroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChIKeyKIPNDJFJDZZAPU-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.19
Rot. Bonds5

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

5-(2,5-dichloroanilino)-5-oxopentanoic acid (PubChem CID 3516353) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-5-oxopentanoic acid
PubChem CID3516353
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name5-(2,5-dichloroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChIKeyKIPNDJFJDZZAPU-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(2,5-dichloroanilino)-5-oxopentanoic acid (CID 3516353) is 5-(2,5-dichloroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,5-dichloroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2,5-dichloroanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichloroanilino)-5-oxopentanoic acid?
The InChIKey is KIPNDJFJDZZAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 5-(2,5-dichloroanilino)-5-oxopentanoic acid?
5-(2,5-dichloroanilino)-5-oxopentanoic acid has a molecular weight of 276.12 g/mol, XLogP of 3.19, 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)-5-oxopentanoic acid is sourced from PubChem (CID 3516353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).