N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide

C17H16F3NO3 — CID 134068254

IUPACN-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOCc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-23-10-12-5-8-14(24-2)9-15(12)21-16(22)11-3-6-13(7-4-11)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXVDSYBGQLHGFKN-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.11
Rot. Bonds5

About N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide

N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 134068254) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID134068254
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOCc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-23-10-12-5-8-14(24-2)9-15(12)21-16(22)11-3-6-13(7-4-11)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXVDSYBGQLHGFKN-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
CID 86231173
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide (CID 134068254) is N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide is COCc1ccc(OC)cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XVDSYBGQLHGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-23-10-12-5-8-14(24-2)9-15(12)21-16(22)11-3-6-13(7-4-11)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134068254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).