2-(2-ethylhexanoylamino)-6-fluorobenzoic acid

C15H20FNO3 — CID 43442827

IUPAC2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
SMILESCCCCC(CC)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-5-7-10(4-2)14(18)17-12-9-6-8-11(16)13(12)15(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNJGOILFRUMRPIU-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds7

About 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid

2-(2-ethylhexanoylamino)-6-fluorobenzoic acid (PubChem CID 43442827) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
PubChem CID43442827
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
SMILESCCCCC(CC)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-5-7-10(4-2)14(18)17-12-9-6-8-11(16)13(12)15(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNJGOILFRUMRPIU-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
CID 7356542
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61498833

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid (CID 43442827) is 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid is CCCCC(CC)C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid?
The InChIKey is NJGOILFRUMRPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-5-7-10(4-2)14(18)17-12-9-6-8-11(16)13(12)15(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid?
2-(2-ethylhexanoylamino)-6-fluorobenzoic acid has a molecular weight of 281.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexanoylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 43442827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).