N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide

C12H12F2N2O2 — CID 55032759

IUPACN-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
SMILESCC(CC#N)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N2O2/c1-8(5-6-15)16-11(17)9-3-2-4-10(7-9)18-12(13)14/h2-4,7-8,12H,5H2,1H3,(H,16,17)
InChIKeyAIQCKQLYGHYTAQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.32
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide

N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide (PubChem CID 55032759) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
PubChem CID55032759
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
SMILESCC(CC#N)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N2O2/c1-8(5-6-15)16-11(17)9-3-2-4-10(7-9)18-12(13)14/h2-4,7-8,12H,5H2,1H3,(H,16,17)
InChIKeyAIQCKQLYGHYTAQ-UHFFFAOYSA-N
XLogP2.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
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N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
3-[3-(difluoromethoxy)phenyl]-2-methyl-3-oxopropanenitrile
CID 43157235
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide (CID 55032759) is N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide is CC(CC#N)NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide?
The InChIKey is AIQCKQLYGHYTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-8(5-6-15)16-11(17)9-3-2-4-10(7-9)18-12(13)14/h2-4,7-8,12H,5H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide?
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide has a molecular weight of 254.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 55032759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).