5-(4-chloroanilino)-5-oxopentanoic acid

C11H12ClNO3 — CID 765844

IUPAC5-(4-chloroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChIKeyWWDMQLBWGBGYGS-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.53
Rot. Bonds5

About 5-(4-chloroanilino)-5-oxopentanoic acid

5-(4-chloroanilino)-5-oxopentanoic acid (PubChem CID 765844) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 5-(4-chloroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-chloroanilino)-5-oxopentanoic acid
PubChem CID765844
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name5-(4-chloroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChIKeyWWDMQLBWGBGYGS-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Chlorosuccinanilic acid
CID 223382
Glutaranilic acid
CID 223386
4-[(3-Chlorophenyl)amino]-4-oxobutanoic acid
CID 749489
3',4'-Dichloroglutaranilic acid
CID 762583
5-[(4-Fluorophenyl)amino]-5-oxopentanoic acid
CID 765145
5-(3,4-Dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732480
N-(4-Chlorophenyl)butanamide
CID 346256
4-((3,4-Dichlorophenyl)amino)-4-oxobutanoic acid
CID 675879
4-(2,4-Dichloroanilino)-4-oxobutanoic acid
CID 842118
2',5'-Dichloroglutaranilic acid
CID 3516353
5-{[3-(Acetylamino)-4-chlorophenyl]amino}-5-oxopentanoic acid
CID 881067
Methyl 5-[(3,4-dichlorophenyl)amino]-5-oxopentanoate
CID 2224936

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-chloroanilino)-5-oxopentanoic acid (CID 765844) is 5-(4-chloroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-chloroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-chloroanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-5-oxopentanoic acid?
The InChIKey is WWDMQLBWGBGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 5-(4-chloroanilino)-5-oxopentanoic acid?
5-(4-chloroanilino)-5-oxopentanoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 765844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).