5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide

C12H15BrF2N2O — CID 82852538

IUPAC5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2N2O/c1-7(16)3-2-4-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4,16H2,1H3,(H,17,18)
InChIKeyUUVSIDIVMBYFJX-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds5

About 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide

5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide (PubChem CID 82852538) has the molecular formula C12H15BrF2N2O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
PubChem CID82852538
Molecular FormulaC12H15BrF2N2O
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2N2O/c1-7(16)3-2-4-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4,16H2,1H3,(H,17,18)
InChIKeyUUVSIDIVMBYFJX-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide?
The IUPAC name of 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide (CID 82852538) is 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide is CC(N)CCCC(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide?
The InChIKey is UUVSIDIVMBYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O/c1-7(16)3-2-4-11(18)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide?
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide has a molecular weight of 321.17 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide is sourced from PubChem (CID 82852538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).