N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide

C11H10F2N2O2 — CID 61121836

IUPACN-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
SMILESCC(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H10F2N2O2/c1-7(6-14)15-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11H,1H3,(H,15,16)
InChIKeyYGSMWZVXKIEGJB-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.93
Rot. Bonds4

About N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide

N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide (PubChem CID 61121836) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
PubChem CID61121836
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC NameN-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
SMILESCC(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H10F2N2O2/c1-7(6-14)15-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11H,1H3,(H,15,16)
InChIKeyYGSMWZVXKIEGJB-UHFFFAOYSA-N
XLogP1.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
CID 39963779
2-[2-(difluoromethoxy)benzoyl]propanedinitrile
CID 112732107
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46587974
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide (CID 61121836) is N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide is CC(C#N)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide?
The InChIKey is YGSMWZVXKIEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-7(6-14)15-10(16)8-4-2-3-5-9(8)17-11(12)13/h2-5,7,11H,1H3,(H,15,16).
What are the key properties of N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide?
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide has a molecular weight of 240.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 61121836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).