N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride

C16H25ClF2N2O2 — CID 119668248

IUPACN-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(C)c(OC(F)F)c(C)c1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-4-5-6-13(9-19)20-15(21)12-7-10(2)14(11(3)8-12)22-16(17)18;/h7-8,13,16H,4-6,9,19H2,1-3H3,(H,20,21);1H
InChIKeySFNLJEFVRNVRTF-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.57
Rot. Bonds8

About N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride (PubChem CID 119668248) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
PubChem CID119668248
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC NameN-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(C)c(OC(F)F)c(C)c1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-4-5-6-13(9-19)20-15(21)12-7-10(2)14(11(3)8-12)22-16(17)18;/h7-8,13,16H,4-6,9,19H2,1-3H3,(H,20,21);1H
InChIKeySFNLJEFVRNVRTF-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;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)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119666969
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-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride (CID 119668248) is N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride is CCCCC(CN)NC(=O)c1cc(C)c(OC(F)F)c(C)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride?
The InChIKey is SFNLJEFVRNVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-4-5-6-13(9-19)20-15(21)12-7-10(2)14(11(3)8-12)22-16(17)18;/h7-8,13,16H,4-6,9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.57, 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-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119668248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).