3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

C16H14F3NO3 — CID 38033064

IUPAC3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1C
InChIInChI=1S/C16H14F3NO3/c1-10-6-7-11(8-14(10)22-2)15(21)20-12-4-3-5-13(9-12)23-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyBFAJEJSFZRZIPS-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.15
Rot. Bonds4

About 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38033064) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38033064
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1C
InChIInChI=1S/C16H14F3NO3/c1-10-6-7-11(8-14(10)22-2)15(21)20-12-4-3-5-13(9-12)23-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyBFAJEJSFZRZIPS-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38033064) is 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is BFAJEJSFZRZIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-10-6-7-11(8-14(10)22-2)15(21)20-12-4-3-5-13(9-12)23-16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 325.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38033064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).