5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid

C12H12F2N2O4 — CID 60942030

IUPAC5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
SMILESNC(=O)c1cc(NC(=O)CCCC(=O)O)c(F)cc1F
InChIInChI=1S/C12H12F2N2O4/c13-7-5-8(14)9(4-6(7)12(15)20)16-10(17)2-1-3-11(18)19/h4-5H,1-3H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyGPOJBKPNNNPOFX-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.26
Rot. Bonds6

About 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid

5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid (PubChem CID 60942030) has the molecular formula C12H12F2N2O4 and a molecular weight of 286.23 g/mol. Its IUPAC name is 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
PubChem CID60942030
Molecular FormulaC12H12F2N2O4
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Name5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
SMILESNC(=O)c1cc(NC(=O)CCCC(=O)O)c(F)cc1F
InChIInChI=1S/C12H12F2N2O4/c13-7-5-8(14)9(4-6(7)12(15)20)16-10(17)2-1-3-11(18)19/h4-5H,1-3H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyGPOJBKPNNNPOFX-UHFFFAOYSA-N
XLogP1.26
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510
5-(2,5-difluoro-4-methylanilino)-5-oxopentanoic acid
CID 103584588
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
5-(4-chlorobutanoylamino)-2,4-difluorobenzoic acid
CID 55203672
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
2,4-difluoro-5-(4-methoxybutanoylamino)benzoic acid
CID 112729277

Frequently Asked Questions

What is the IUPAC name of 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid (CID 60942030) is 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid is NC(=O)c1cc(NC(=O)CCCC(=O)O)c(F)cc1F.
What is the InChIKey of 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid?
The InChIKey is GPOJBKPNNNPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4/c13-7-5-8(14)9(4-6(7)12(15)20)16-10(17)2-1-3-11(18)19/h4-5H,1-3H2,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid?
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid has a molecular weight of 286.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 60942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).