N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride

C13H18BrClF2N2O — CID 119665762

IUPACN-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C13H17BrF2N2O.ClH/c1-2-3-4-9(7-17)18-13(19)12-10(15)5-8(14)6-11(12)16;/h5-6,9H,2-4,7,17H2,1H3,(H,18,19);1H
InChIKeyUKHUCCJTUICHCN-UHFFFAOYSA-N
MW371.65 g/mol
LogP3.40
Rot. Bonds6

About N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride

N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride (PubChem CID 119665762) has the molecular formula C13H18BrClF2N2O and a molecular weight of 371.65 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
PubChem CID119665762
Molecular FormulaC13H18BrClF2N2O
Molecular Weight371.65 g/mol
Exact Mass370.03
IUPAC NameN-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C13H17BrF2N2O.ClH/c1-2-3-4-9(7-17)18-13(19)12-10(15)5-8(14)6-11(12)16;/h5-6,9H,2-4,7,17H2,1H3,(H,18,19);1H
InChIKeyUKHUCCJTUICHCN-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
CID 115999655
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
CID 114155269

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride (CID 119665762) is N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1c(F)cc(Br)cc1F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride?
The InChIKey is UKHUCCJTUICHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O.ClH/c1-2-3-4-9(7-17)18-13(19)12-10(15)5-8(14)6-11(12)16;/h5-6,9H,2-4,7,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride has a molecular weight of 371.65 g/mol, XLogP of 3.40, 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)-4-bromo-2,6-difluorobenzamide;hydrochloride is sourced from PubChem (CID 119665762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).