4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C22H19F3N2O2 — CID 70663270

IUPAC4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2cnccc2-c2ccccc2C)cc1C(F)(F)F
InChIInChI=1S/C22H19F3N2O2/c1-14-6-4-5-7-16(14)17-10-11-26-13-19(17)27(2)21(28)15-8-9-20(29-3)18(12-15)22(23,24)25/h4-13H,1-3H3
InChIKeyPZJAVFFBMJGBIR-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.36
Rot. Bonds4

About 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 70663270) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID70663270
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2cnccc2-c2ccccc2C)cc1C(F)(F)F
InChIInChI=1S/C22H19F3N2O2/c1-14-6-4-5-7-16(14)17-10-11-26-13-19(17)27(2)21(28)15-8-9-20(29-3)18(12-15)22(23,24)25/h4-13H,1-3H3
InChIKeyPZJAVFFBMJGBIR-UHFFFAOYSA-N
XLogP5.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 70663270) is 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)N(C)c2cnccc2-c2ccccc2C)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PZJAVFFBMJGBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-14-6-4-5-7-16(14)17-10-11-26-13-19(17)27(2)21(28)15-8-9-20(29-3)18(12-15)22(23,24)25/h4-13H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 400.40 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).