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

C16H14F3NO2 — CID 52545008

IUPAC4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO2/c1-10-3-6-12(9-14(10)16(17,18)19)20-15(21)11-4-7-13(22-2)8-5-11/h3-9H,1-2H3,(H,20,21)
InChIKeyOKEAXFFEZPEGRB-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.27
Rot. Bonds3

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

4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 52545008) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID52545008
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO2/c1-10-3-6-12(9-14(10)16(17,18)19)20-15(21)11-4-7-13(22-2)8-5-11/h3-9H,1-2H3,(H,20,21)
InChIKeyOKEAXFFEZPEGRB-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 52545008) is 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OKEAXFFEZPEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-3-6-12(9-14(10)16(17,18)19)20-15(21)11-4-7-13(22-2)8-5-11/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 52545008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).