2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid

C13H16F2N2O3 — CID 61194249

IUPAC2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1c(F)cccc1F)C(=O)O
InChIInChI=1S/C13H16F2N2O3/c1-2-3-7-10(12(18)19)16-13(20)17-11-8(14)5-4-6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHDCICWNJBQXWPT-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.73
Rot. Bonds6

About 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid

2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid (PubChem CID 61194249) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
PubChem CID61194249
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1c(F)cccc1F)C(=O)O
InChIInChI=1S/C13H16F2N2O3/c1-2-3-7-10(12(18)19)16-13(20)17-11-8(14)5-4-6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHDCICWNJBQXWPT-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-fluoro-6-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829274
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005952
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
CID 54991149
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107614553
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-[(3-cyanophenyl)carbamoylamino]hexanoic acid
CID 43469991
2-[(3-ethynylphenyl)carbamoylamino]hexanoic acid
CID 61188195
3-[(2,6-difluorophenyl)carbamoylamino]butanoic acid
CID 61194064

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid (CID 61194249) is 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)Nc1c(F)cccc1F)C(=O)O.
What is the InChIKey of 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid?
The InChIKey is HDCICWNJBQXWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-3-7-10(12(18)19)16-13(20)17-11-8(14)5-4-6-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid?
2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61194249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).