5-(2-carbamoyl-4-fluoroanilino)hexanoic acid

C13H17FN2O3 — CID 82847895

IUPAC5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(3-2-4-12(17)18)16-11-6-5-9(14)7-10(11)13(15)19/h5-8,16H,2-4H2,1H3,(H2,15,19)(H,17,18)
InChIKeyBBIWAUCLELUPKR-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.98
Rot. Bonds7

About 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid

5-(2-carbamoyl-4-fluoroanilino)hexanoic acid (PubChem CID 82847895) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid.

Molecular Properties

Compound Name5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
PubChem CID82847895
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(3-2-4-12(17)18)16-11-6-5-9(14)7-10(11)13(15)19/h5-8,16H,2-4H2,1H3,(H2,15,19)(H,17,18)
InChIKeyBBIWAUCLELUPKR-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
methyl 5-fluoro-2-(heptan-2-ylamino)benzoate
CID 43735422
5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
CID 82847003
4-(2-carbamoyl-4-fluoroanilino)-4-methylpentanoic acid
CID 63674099
5-[(2-bromo-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 82845882
4-(2-bromo-5-fluoroanilino)pentanoic acid
CID 107633429
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
CID 62536813

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid?
The IUPAC name of 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid (CID 82847895) is 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid.
What is the SMILES notation for 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid?
The canonical SMILES for 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid is CC(CCCC(=O)O)Nc1ccc(F)cc1C(N)=O.
What is the InChIKey of 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid?
The InChIKey is BBIWAUCLELUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(3-2-4-12(17)18)16-11-6-5-9(14)7-10(11)13(15)19/h5-8,16H,2-4H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid?
5-(2-carbamoyl-4-fluoroanilino)hexanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbamoyl-4-fluoroanilino)hexanoic acid is sourced from PubChem (CID 82847895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).