2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide

C25H22F4N2O3 — CID 163361435

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
SMILESCC1=C(C=CC(=C1)F)OC2=C(C=C(C(=C2)C(F)(F)F)C=C(C)C)C(=O)NC3=CC(=NC=C3)OC
InChIInChI=1S/C25H22F4N2O3/c1-14(2)9-16-11-19(24(32)31-18-7-8-30-23(12-18)33-4)22(13-20(16)25(27,28)29)34-21-6-5-17(26)10-15(21)3/h5-13H,1-4H3,(H,30,31,32)
InChIKeyZSRKDYRDXUJQHK-UHFFFAOYSA-N
MW474.40 g/mol
LogP6.50
Rot. Bonds6

About 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide

2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide (PubChem CID 163361435) has the molecular formula C25H22F4N2O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
PubChem CID163361435
Molecular FormulaC25H22F4N2O3
Molecular Weight474.40 g/mol
Exact Mass474.16
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
SMILESCC1=C(C=CC(=C1)F)OC2=C(C=C(C(=C2)C(F)(F)F)C=C(C)C)C(=O)NC3=CC(=NC=C3)OC
InChIInChI=1S/C25H22F4N2O3/c1-14(2)9-16-11-19(24(32)31-18-7-8-30-23(12-18)33-4)22(13-20(16)25(27,28)29)34-21-6-5-17(26)10-15(21)3/h5-13H,1-4H3,(H,30,31,32)
InChIKeyZSRKDYRDXUJQHK-UHFFFAOYSA-N
XLogP6.50
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity713

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Diflufenican
CID 91735
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
2-methoxy-N-pyridin-4-ylbenzamide
CID 814758
3-Hydroxy-N-(pyridin-4-yl)naphthalene-2-carboxamide
CID 24684670
2-methoxy-N-[4-(4-pyridinylmethyl)phenyl]benzamide
CID 776740
3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10068933

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide (CID 163361435) is 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide is CC1=C(C=CC(=C1)F)OC2=C(C=C(C(=C2)C(F)(F)F)C=C(C)C)C(=O)NC3=CC(=NC=C3)OC.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZSRKDYRDXUJQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O3/c1-14(2)9-16-11-19(24(32)31-18-7-8-30-23(12-18)33-4)22(13-20(16)25(27,28)29)34-21-6-5-17(26)10-15(21)3/h5-13H,1-4H3,(H,30,31,32).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide has a molecular weight of 474.40 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163361435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).