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

C13H19Cl2FN2O — CID 119665363

IUPACN-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyQFVGEWUAOYURNT-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.15
Rot. Bonds6

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

N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride (PubChem CID 119665363) has the molecular formula C13H19Cl2FN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
PubChem CID119665363
Molecular FormulaC13H19Cl2FN2O
Molecular Weight309.21 g/mol
Exact Mass308.09
IUPAC NameN-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyQFVGEWUAOYURNT-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
CID 119665762
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride (CID 119665363) is N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride?
The InChIKey is QFVGEWUAOYURNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O.ClH/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15;/h5-7,10H,2-4,8,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride has a molecular weight of 309.21 g/mol, XLogP of 3.15, 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-chloro-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119665363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).