2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide

C21H16F3N3O3 — CID 12878239

IUPAC2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C21H16F3N3O3/c1-13-4-2-3-5-17(13)19(28)27-20(29)26-15-7-9-16(10-8-15)30-18-11-6-14(12-25-18)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
InChIKeyAJHGOHDOFHSJSM-UHFFFAOYSA-N
MW415.37 g/mol
LogP5.16
Rot. Bonds4

About 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide

2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide (PubChem CID 12878239) has the molecular formula C21H16F3N3O3 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
PubChem CID12878239
Molecular FormulaC21H16F3N3O3
Molecular Weight415.37 g/mol
Exact Mass415.11
IUPAC Name2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C21H16F3N3O3/c1-13-4-2-3-5-17(13)19(28)27-20(29)26-15-7-9-16(10-8-15)30-18-11-6-14(12-25-18)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
InChIKeyAJHGOHDOFHSJSM-UHFFFAOYSA-N
XLogP5.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 17499127
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 167963025
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531882
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide (CID 12878239) is 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide?
The InChIKey is AJHGOHDOFHSJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3/c1-13-4-2-3-5-17(13)19(28)27-20(29)26-15-7-9-16(10-8-15)30-18-11-6-14(12-25-18)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29).
What are the key properties of 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide?
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide has a molecular weight of 415.37 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 12878239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).