N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride

C14H21ClF2N2OS — CID 119666969

IUPACN-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C14H20F2N2OS.ClH/c1-2-3-4-11(9-17)18-13(19)10-5-7-12(8-6-10)20-14(15)16;/h5-8,11,14H,2-4,9,17H2,1H3,(H,18,19);1H
InChIKeyAXWWFGYHHDBLDY-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.67
Rot. Bonds8

About N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride (PubChem CID 119666969) has the molecular formula C14H21ClF2N2OS and a molecular weight of 338.85 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
PubChem CID119666969
Molecular FormulaC14H21ClF2N2OS
Molecular Weight338.85 g/mol
Exact Mass338.10
IUPAC NameN-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C14H20F2N2OS.ClH/c1-2-3-4-11(9-17)18-13(19)10-5-7-12(8-6-10)20-14(15)16;/h5-8,11,14H,2-4,9,17H2,1H3,(H,18,19);1H
InChIKeyAXWWFGYHHDBLDY-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
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)-3,5-dimethylbenzamide
CID 80697654
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
CID 134055978
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248
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)-4-(difluoromethylsulfanyl)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride (CID 119666969) is N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(SC(F)F)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride?
The InChIKey is AXWWFGYHHDBLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS.ClH/c1-2-3-4-11(9-17)18-13(19)10-5-7-12(8-6-10)20-14(15)16;/h5-8,11,14H,2-4,9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride has a molecular weight of 338.85 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride is sourced from PubChem (CID 119666969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).