N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide

C14H16F2N2O2 — CID 39963779

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2/c1-9(2)14(3,8-17)18-12(19)10-6-4-5-7-11(10)20-13(15)16/h4-7,9,13H,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyLZKKIZRKIUSCJZ-CQSZACIVSA-N
MW282.29 g/mol
LogP2.96
Rot. Bonds5

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide (PubChem CID 39963779) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
PubChem CID39963779
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2O2/c1-9(2)14(3,8-17)18-12(19)10-6-4-5-7-11(10)20-13(15)16/h4-7,9,13H,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyLZKKIZRKIUSCJZ-CQSZACIVSA-N
XLogP2.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
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-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42902859

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide (CID 39963779) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide is CC(C)[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide?
The InChIKey is LZKKIZRKIUSCJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9(2)14(3,8-17)18-12(19)10-6-4-5-7-11(10)20-13(15)16/h4-7,9,13H,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide has a molecular weight of 282.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 39963779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).