N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide

C13H14F2N2O2 — CID 61119977

IUPACN-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCCC(C)(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)17-11(18)9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18)
InChIKeyMQIGTJCYYWHZJY-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.71
Rot. Bonds5

About N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide

N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 61119977) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID61119977
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC NameN-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCCC(C)(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)17-11(18)9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18)
InChIKeyMQIGTJCYYWHZJY-UHFFFAOYSA-N
XLogP2.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
CID 39963779
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide
CID 75497344
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide (CID 61119977) is N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide is CCC(C)(C#N)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is MQIGTJCYYWHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)17-11(18)9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide?
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 268.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 61119977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).