5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid

C11H11ClFNO3 — CID 43396608

IUPAC5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c12-7-3-1-4-8(11(7)13)14-9(15)5-2-6-10(16)17/h1,3-4H,2,5-6H2,(H,14,15)(H,16,17)
InChIKeyFAKZZFIZAGIHQN-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.67
Rot. Bonds5

About 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid

5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid (PubChem CID 43396608) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
PubChem CID43396608
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c12-7-3-1-4-8(11(7)13)14-9(15)5-2-6-10(16)17/h1,3-4H,2,5-6H2,(H,14,15)(H,16,17)
InChIKeyFAKZZFIZAGIHQN-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

3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid (CID 43396608) is 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid?
The InChIKey is FAKZZFIZAGIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c12-7-3-1-4-8(11(7)13)14-9(15)5-2-6-10(16)17/h1,3-4H,2,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid?
5-(3-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-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 43396608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).