N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide

C13H16F3NO3 — CID 66681124

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C13H16F3NO3/c1-12(2,7-18)17-11(19)9-5-4-8(13(14,15)16)6-10(9)20-3/h4-6,18H,7H2,1-3H3,(H,17,19)
InChIKeyPPKOPDRMLVUHMM-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.21
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 66681124) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
PubChem CID66681124
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C13H16F3NO3/c1-12(2,7-18)17-11(19)9-5-4-8(13(14,15)16)6-10(9)20-3/h4-6,18H,7H2,1-3H3,(H,17,19)
InChIKeyPPKOPDRMLVUHMM-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
3-[(4-chloro-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672649
2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 167743860
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide (CID 66681124) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)ccc1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is PPKOPDRMLVUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(2,7-18)17-11(19)9-5-4-8(13(14,15)16)6-10(9)20-3/h4-6,18H,7H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 66681124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).