3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C18H18F3NO3 — CID 60575314

IUPAC3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)ccc1C
InChIInChI=1S/C18H18F3NO3/c1-11-4-7-14(16(8-11)25-10-18(19,20)21)22-17(23)13-6-5-12(2)15(9-13)24-3/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyUISJJSMQPQMJKR-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.51
Rot. Bonds5

About 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide

3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 60575314) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID60575314
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)ccc1C
InChIInChI=1S/C18H18F3NO3/c1-11-4-7-14(16(8-11)25-10-18(19,20)21)22-17(23)13-6-5-12(2)15(9-13)24-3/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyUISJJSMQPQMJKR-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 60575158

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 60575314) is 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is UISJJSMQPQMJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-11-4-7-14(16(8-11)25-10-18(19,20)21)22-17(23)13-6-5-12(2)15(9-13)24-3/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 353.34 g/mol, XLogP of 4.51, 5 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-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 60575314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).