N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide

C13H18BrFN2O — CID 80696821

IUPACN-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
SMILESCCCCC(CN)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-2-3-4-12(8-16)17-13(18)9-5-10(14)7-11(15)6-9/h5-7,12H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyBLZRSGWMPAFPMA-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.84
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide

N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide (PubChem CID 80696821) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
PubChem CID80696821
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC NameN-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
SMILESCCCCC(CN)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-2-3-4-12(8-16)17-13(18)9-5-10(14)7-11(15)6-9/h5-7,12H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyBLZRSGWMPAFPMA-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
CID 119665762
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
CID 115999655
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248
N-(1-aminopentan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191484
N-(1-aminohexan-2-yl)-5-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119665147
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide (CID 80696821) is N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide is CCCCC(CN)NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide?
The InChIKey is BLZRSGWMPAFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-2-3-4-12(8-16)17-13(18)9-5-10(14)7-11(15)6-9/h5-7,12H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide?
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide has a molecular weight of 317.20 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide is sourced from PubChem (CID 80696821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).