N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride

C13H20Cl2N2O — CID 119667644

IUPACN-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-2-3-7-12(9-15)16-13(17)10-5-4-6-11(14)8-10;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17);1H
InChIKeyAKYKMHJRFQVRPT-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.01
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride (PubChem CID 119667644) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
PubChem CID119667644
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC NameN-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-2-3-7-12(9-15)16-13(17)10-5-4-6-11(14)8-10;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17);1H
InChIKeyAKYKMHJRFQVRPT-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride (CID 119667644) is N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride?
The InChIKey is AKYKMHJRFQVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-2-3-7-12(9-15)16-13(17)10-5-4-6-11(14)8-10;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 3.01, 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-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119667644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).