2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide

C16H14F3NO3 — CID 58062859

IUPAC2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(OCc2ccccc2)c1C(N)=O
InChIInChI=1S/C16H14F3NO3/c1-22-12-7-11(16(17,18)19)8-13(14(12)15(20)21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyBTWOAJWNKBKUEH-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.39
Rot. Bonds5

About 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide

2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide (PubChem CID 58062859) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
PubChem CID58062859
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(OCc2ccccc2)c1C(N)=O
InChIInChI=1S/C16H14F3NO3/c1-22-12-7-11(16(17,18)19)8-13(14(12)15(20)21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyBTWOAJWNKBKUEH-UHFFFAOYSA-N
XLogP3.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
2-cyano-6-methoxy-4-(trifluoromethyl)benzamide
CID 171031277
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
CID 146034992
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide (CID 58062859) is 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(OCc2ccccc2)c1C(N)=O.
What is the InChIKey of 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide?
The InChIKey is BTWOAJWNKBKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-22-12-7-11(16(17,18)19)8-13(14(12)15(20)21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,20,21).
What are the key properties of 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide?
2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58062859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).