2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F3NO3 — CID 38254330

IUPAC2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C17H16F3NO3/c1-21(10-11-5-3-4-6-14(11)17(18,19)20)16(23)13-8-7-12(24-2)9-15(13)22/h3-9,22H,10H2,1-2H3
InChIKeyABPXLJQGDVYTEV-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.69
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 38254330) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID38254330
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C17H16F3NO3/c1-21(10-11-5-3-4-6-14(11)17(18,19)20)16(23)13-8-7-12(24-2)9-15(13)22/h3-9,22H,10H2,1-2H3
InChIKeyABPXLJQGDVYTEV-UHFFFAOYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 60784042
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 38254330) is 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ABPXLJQGDVYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-21(10-11-5-3-4-6-14(11)17(18,19)20)16(23)13-8-7-12(24-2)9-15(13)22/h3-9,22H,10H2,1-2H3.
What are the key properties of 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38254330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).