2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide

C22H17F3N2O3 — CID 70689617

IUPAC2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3/c1-30-19-10-6-5-9-17(19)20(28)27-21(29)26-15-11-12-16(14-7-3-2-4-8-14)18(13-15)22(23,24)25/h2-13H,1H3,(H2,26,27,28,29)
InChIKeyIDFGAJITXROZKU-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.34
Rot. Bonds4

About 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide

2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 70689617) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID70689617
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3/c1-30-19-10-6-5-9-17(19)20(28)27-21(29)26-15-11-12-16(14-7-3-2-4-8-14)18(13-15)22(23,24)25/h2-13H,1H3,(H2,26,27,28,29)
InChIKeyIDFGAJITXROZKU-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 70689617) is 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is IDFGAJITXROZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-30-19-10-6-5-9-17(19)20(28)27-21(29)26-15-11-12-16(14-7-3-2-4-8-14)18(13-15)22(23,24)25/h2-13H,1H3,(H2,26,27,28,29).
What are the key properties of 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 414.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 70689617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).