3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide

C12H15F2NO3 — CID 113304412

IUPAC3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-8(2)7-17-15-11(16)9-4-3-5-10(6-9)18-12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16)
InChIKeyCBALMHQCGQNDEL-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.61
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide

3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide (PubChem CID 113304412) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
PubChem CID113304412
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-8(2)7-17-15-11(16)9-4-3-5-10(6-9)18-12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16)
InChIKeyCBALMHQCGQNDEL-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide (CID 113304412) is 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide?
The InChIKey is CBALMHQCGQNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8(2)7-17-15-11(16)9-4-3-5-10(6-9)18-12(13)14/h3-6,8,12H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide?
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide has a molecular weight of 259.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 113304412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).