N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide

C11H12F4N2O2 — CID 114383418

IUPACN-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-2-7(4-8)9(18)17-6-11(14,15)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyOAJCTMBFGCEFKR-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.61
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide

N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide (PubChem CID 114383418) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
PubChem CID114383418
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-2-7(4-8)9(18)17-6-11(14,15)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyOAJCTMBFGCEFKR-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
CID 114383585
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601
[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 42970121
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
2-amino-4-[[3-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 67330500
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide (CID 114383418) is N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide is NCC(F)(F)CNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide?
The InChIKey is OAJCTMBFGCEFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-2-7(4-8)9(18)17-6-11(14,15)5-16/h1-4,10H,5-6,16H2,(H,17,18).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide?
N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide has a molecular weight of 280.22 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 114383418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).