6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide

C14H20BrFN2O — CID 107599928

IUPAC6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-2-10(8-9-17)6-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9,17H2,1H3,(H,18,19)
InChIKeyFTQSFRYGGPRMAD-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.68
Rot. Bonds7

About 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide

6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide (PubChem CID 107599928) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide
PubChem CID107599928
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-2-10(8-9-17)6-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9,17H2,1H3,(H,18,19)
InChIKeyFTQSFRYGGPRMAD-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
N-(2-bromo-6-fluorophenyl)-2-carbamothioylpentanamide
CID 107600452
methyl 2-(2-bromo-6-fluoroanilino)butanoate
CID 107598578
4-(2-bromo-6-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 103740790
2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
CID 107601919
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
CID 107600024

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide?
The IUPAC name of 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide (CID 107599928) is 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide is CCC(CCN)CCC(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide?
The InChIKey is FTQSFRYGGPRMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-2-10(8-9-17)6-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10H,2,6-9,17H2,1H3,(H,18,19).
What are the key properties of 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide?
6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide has a molecular weight of 331.23 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 6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide is sourced from PubChem (CID 107599928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).