N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride

C14H20ClF3N2O2 — CID 119653488

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(F)cc1OC(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-14(2,7-18)8-19(3)12(20)10-5-4-9(15)6-11(10)21-13(16)17;/h4-6,13H,7-8,18H2,1-3H3;1H
InChIKeyIXNXFZIGRCLWDT-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.91
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride (PubChem CID 119653488) has the molecular formula C14H20ClF3N2O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
PubChem CID119653488
Molecular FormulaC14H20ClF3N2O2
Molecular Weight340.77 g/mol
Exact Mass340.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(F)cc1OC(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-14(2,7-18)8-19(3)12(20)10-5-4-9(15)6-11(10)21-13(16)17;/h4-6,13H,7-8,18H2,1-3H3;1H
InChIKeyIXNXFZIGRCLWDT-UHFFFAOYSA-N
XLogP2.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119657135
2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 109468392
N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride
CID 119654041
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119656995
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride
CID 119654204
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119655035
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride (CID 119653488) is N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccc(F)cc1OC(F)F.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride?
The InChIKey is IXNXFZIGRCLWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.ClH/c1-14(2,7-18)8-19(3)12(20)10-5-4-9(15)6-11(10)21-13(16)17;/h4-6,13H,7-8,18H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119653488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).