N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

C16H25ClF2N2O4 — CID 119609098

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-9(2)16(3,8-19)20-14(21)10-6-11(22-4)13(24-15(17)18)12(7-10)23-5;/h6-7,9,15H,8,19H2,1-5H3,(H,20,21);1H
InChIKeyUZROVBZUYHGPMZ-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.83
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119609098) has the molecular formula C16H25ClF2N2O4 and a molecular weight of 382.84 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119609098
Molecular FormulaC16H25ClF2N2O4
Molecular Weight382.84 g/mol
Exact Mass382.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-9(2)16(3,8-19)20-14(21)10-6-11(22-4)13(24-15(17)18)12(7-10)23-5;/h6-7,9,15H,8,19H2,1-5H3,(H,20,21);1H
InChIKeyUZROVBZUYHGPMZ-UHFFFAOYSA-N
XLogP2.83
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119572146
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
CID 119605500
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (CID 119609098) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1OC(F)F.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is UZROVBZUYHGPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O4.ClH/c1-9(2)16(3,8-19)20-14(21)10-6-11(22-4)13(24-15(17)18)12(7-10)23-5;/h6-7,9,15H,8,19H2,1-5H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119609098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).