N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide

C12H16F2N2O2 — CID 81482649

IUPACN-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)(N)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-12(2,15)7-16-10(17)8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,7,15H2,1-2H3,(H,16,17)
InChIKeyAELFPKGQBDWRLA-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.76
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide

N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide (PubChem CID 81482649) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
PubChem CID81482649
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)(N)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-12(2,15)7-16-10(17)8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,7,15H2,1-2H3,(H,16,17)
InChIKeyAELFPKGQBDWRLA-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-amino-2-methylpropyl)-5-chloro-2-(difluoromethoxy)benzamide
CID 119626880
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide (CID 81482649) is N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide is CC(C)(N)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide?
The InChIKey is AELFPKGQBDWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(2,15)7-16-10(17)8-5-3-4-6-9(8)18-11(13)14/h3-6,11H,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide?
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 81482649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).