N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide

C12H14F3NO2 — CID 82725291

IUPACN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)18-16-10(17)8-5-4-6-9(7-8)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyKSPPUUQNDINHKA-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.17
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide

N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide (PubChem CID 82725291) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
PubChem CID82725291
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-11(2,3)18-16-10(17)8-5-4-6-9(7-8)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyKSPPUUQNDINHKA-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide (CID 82725291) is N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide is CC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The InChIKey is KSPPUUQNDINHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,3)18-16-10(17)8-5-4-6-9(7-8)12(13,14)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 82725291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).