N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride

C13H19BrClFN2O — CID 119668140

IUPACN-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C13H18BrFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)9-5-6-12(15)11(14)7-9;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyQKNVBWUKJVISHA-UHFFFAOYSA-N
MW353.66 g/mol
LogP3.26
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride (PubChem CID 119668140) has the molecular formula C13H19BrClFN2O and a molecular weight of 353.66 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
PubChem CID119668140
Molecular FormulaC13H19BrClFN2O
Molecular Weight353.66 g/mol
Exact Mass352.04
IUPAC NameN-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C13H18BrFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)9-5-6-12(15)11(14)7-9;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyQKNVBWUKJVISHA-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.66
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103807055
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
CID 119665762
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride (CID 119668140) is N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(F)c(Br)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride?
The InChIKey is QKNVBWUKJVISHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)9-5-6-12(15)11(14)7-9;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride has a molecular weight of 353.66 g/mol, XLogP of 3.26, 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-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119668140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).