N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide

C13H16F3NO2 — CID 164554378

IUPACN-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
SMILESCC(C)C(C)NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-8(2)9(3)17-12(18)10-6-4-5-7-11(10)19-13(14,15)16/h4-9H,1-3H3,(H,17,18)
InChIKeyJZTQJIPACFOQAB-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.36
Rot. Bonds4

About N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide

N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 164554378) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
PubChem CID164554378
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
SMILESCC(C)C(C)NC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-8(2)9(3)17-12(18)10-6-4-5-7-11(10)19-13(14,15)16/h4-9H,1-3H3,(H,17,18)
InChIKeyJZTQJIPACFOQAB-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
2-methoxy-3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 116709655
2-(trifluoromethoxy)benzoate
CID 6933714
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
3-(propan-2-ylamino)-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 116556380
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
benzyl 3-oxo-3-phenyl-2-[[2-(trifluoromethoxy)benzoyl]amino]propanoate
CID 44557665
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 65094401

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide (CID 164554378) is N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide is CC(C)C(C)NC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is JZTQJIPACFOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)9(3)17-12(18)10-6-4-5-7-11(10)19-13(14,15)16/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide?
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 275.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 164554378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).