N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide

C11H12F4N2O2 — CID 114383585

IUPACN-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
SMILESNCC(F)(F)CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-7(2-4-8)9(18)17-6-11(14,15)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyPCLLDDOYQHAKJE-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.61
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide

N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide (PubChem CID 114383585) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
PubChem CID114383585
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
SMILESNCC(F)(F)CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-7(2-4-8)9(18)17-6-11(14,15)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyPCLLDDOYQHAKJE-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)-3-(difluoromethoxy)benzamide
CID 114383418
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
CID 114383634
N-(3-amino-2,2-difluoropropyl)-3-hydroxybenzamide
CID 114383539
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
CID 63284398

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide (CID 114383585) is N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide is NCC(F)(F)CNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide?
The InChIKey is PCLLDDOYQHAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)19-8-3-1-7(2-4-8)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)-4-(difluoromethoxy)benzamide?
N-(3-amino-2,2-difluoropropyl)-4-(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)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 114383585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).