5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid

C11H11ClFNO3 — CID 43396605

IUPAC5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/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)
InChIKeyVGPOQVXMIFFQRB-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.67
Rot. Bonds5

About 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid

5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid (PubChem CID 43396605) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
PubChem CID43396605
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/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)
InChIKeyVGPOQVXMIFFQRB-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
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N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
4-[(5-chloro-2-fluorophenyl)carbamoyl-methylamino]butanoic acid
CID 43438601
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
5-(2,5-difluoro-4-methylanilino)-5-oxopentanoic acid
CID 103584588
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
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4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid (CID 43396605) is 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The InChIKey is VGPOQVXMIFFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/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-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid?
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid has a molecular weight of 259.66 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 43396605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).