2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide

C13H18BrFN2O — CID 61301214

IUPAC2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-2-3-4-12(16)13(18)17-8-9-7-10(14)5-6-11(9)15/h5-7,12H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyNCWJEAOYLHRWPA-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide (PubChem CID 61301214) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
PubChem CID61301214
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-2-3-4-12(16)13(18)17-8-9-7-10(14)5-6-11(9)15/h5-7,12H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyNCWJEAOYLHRWPA-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
CID 61298886
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide (CID 61301214) is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide is CCCCC(N)C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide?
The InChIKey is NCWJEAOYLHRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-2-3-4-12(16)13(18)17-8-9-7-10(14)5-6-11(9)15/h5-7,12H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide?
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide has a molecular weight of 317.20 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide is sourced from PubChem (CID 61301214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).