2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide

C21H16F4N2O3 — CID 155170303

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2C)ccn1
InChIInChI=1S/C21H16F4N2O3/c1-12-9-14(22)4-6-17(12)30-18-10-13(21(23,24)25)3-5-16(18)20(28)27-15-7-8-26-19(11-15)29-2/h3-11H,1-2H3,(H,26,27,28)
InChIKeyBFTHAQBBTIBCOO-UHFFFAOYSA-N
MW420.36 g/mol
LogP5.60
Rot. Bonds5

About 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide

2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 155170303) has the molecular formula C21H16F4N2O3 and a molecular weight of 420.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID155170303
Molecular FormulaC21H16F4N2O3
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2C)ccn1
InChIInChI=1S/C21H16F4N2O3/c1-12-9-14(22)4-6-17(12)30-18-10-13(21(23,24)25)3-5-16(18)20(28)27-15-7-8-26-19(11-15)29-2/h3-11H,1-2H3,(H,26,27,28)
InChIKeyBFTHAQBBTIBCOO-UHFFFAOYSA-N
XLogP5.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide (CID 155170303) is 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2C)ccn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is BFTHAQBBTIBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3/c1-12-9-14(22)4-6-17(12)30-18-10-13(21(23,24)25)3-5-16(18)20(28)27-15-7-8-26-19(11-15)29-2/h3-11H,1-2H3,(H,26,27,28).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 420.36 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155170303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).