N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide

C13H13F3N2O3 — CID 75497344

IUPACN-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide
SMILESCOCC(C)(C#N)NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c1-12(7-17,8-20-2)18-11(19)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyOZOIBSYDYHYMKH-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.24
Rot. Bonds5

About N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide

N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 75497344) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide
PubChem CID75497344
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC NameN-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide
SMILESCOCC(C)(C#N)NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c1-12(7-17,8-20-2)18-11(19)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyOZOIBSYDYHYMKH-UHFFFAOYSA-N
XLogP2.24
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-1-methoxypropan-2-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86781173
N-[2-cyano-1-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborol-6-yl)oxy]propan-2-yl]-2-(trifluoromethoxy)benzamide
CID 90461993
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
4-bromo-N-(2-cyano-1-methoxypropan-2-yl)-2-hydroxybenzamide
CID 75439807
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 65094401
2-methoxy-3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 116709655
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide
CID 54904382
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
CID 71849704
N-[2-cyano-1-(3-hydroxy-2-propylphenoxy)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 90459091

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide (CID 75497344) is N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide is COCC(C)(C#N)NC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is OZOIBSYDYHYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-12(7-17,8-20-2)18-11(19)9-5-3-4-6-10(9)21-13(14,15)16/h3-6H,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide?
N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 302.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 75497344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).