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

C14H20ClF3N2O2 — CID 119665751

IUPACN-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(F)cc1OC(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-2-3-4-10(8-18)19-13(20)11-6-5-9(15)7-12(11)21-14(16)17;/h5-7,10,14H,2-4,8,18H2,1H3,(H,19,20);1H
InChIKeyVMFCGZBSHCVBNU-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.10
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride (PubChem CID 119665751) has the molecular formula C14H20ClF3N2O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
PubChem CID119665751
Molecular FormulaC14H20ClF3N2O2
Molecular Weight340.77 g/mol
Exact Mass340.12
IUPAC NameN-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(F)cc1OC(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-2-3-4-10(8-18)19-13(20)11-6-5-9(15)7-12(11)21-14(16)17;/h5-7,10,14H,2-4,8,18H2,1H3,(H,19,20);1H
InChIKeyVMFCGZBSHCVBNU-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
CID 119665057
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
CID 65191269
N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119664901
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119364700

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride (CID 119665751) is N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(F)cc1OC(F)F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The InChIKey is VMFCGZBSHCVBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.ClH/c1-2-3-4-10(8-18)19-13(20)11-6-5-9(15)7-12(11)21-14(16)17;/h5-7,10,14H,2-4,8,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 3.10, 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)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).