2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide

C16H13F3N2O4 — CID 2800190

IUPAC2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C16H13F3N2O4/c1-24-11-4-3-5-12(25-2)13(11)15(22)21-16(23)20-14-9(18)6-8(17)7-10(14)19/h3-7H,1-2H3,(H2,20,21,22,23)
InChIKeyOLKWLLXSRAKETP-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.08
Rot. Bonds4

About 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide

2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide (PubChem CID 2800190) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
PubChem CID2800190
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C16H13F3N2O4/c1-24-11-4-3-5-12(25-2)13(11)15(22)21-16(23)20-14-9(18)6-8(17)7-10(14)19/h3-7H,1-2H3,(H2,20,21,22,23)
InChIKeyOLKWLLXSRAKETP-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide (CID 2800190) is 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide is COc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The InChIKey is OLKWLLXSRAKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-24-11-4-3-5-12(25-2)13(11)15(22)21-16(23)20-14-9(18)6-8(17)7-10(14)19/h3-7H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide has a molecular weight of 354.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 2800190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).