2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide

C16H11F5N2O4 — CID 2800297

IUPAC2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F5N2O4/c1-26-6-4-3-5-7(27-2)8(6)15(24)23-16(25)22-14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3,(H2,22,23,24,25)
InChIKeyLYZPOBCJCXGDMT-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.36
Rot. Bonds4

About 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide

2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide (PubChem CID 2800297) has the molecular formula C16H11F5N2O4 and a molecular weight of 390.26 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
PubChem CID2800297
Molecular FormulaC16H11F5N2O4
Molecular Weight390.26 g/mol
Exact Mass390.06
IUPAC Name2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F5N2O4/c1-26-6-4-3-5-7(27-2)8(6)15(24)23-16(25)22-14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3,(H2,22,23,24,25)
InChIKeyLYZPOBCJCXGDMT-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide (CID 2800297) is 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide is COc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The InChIKey is LYZPOBCJCXGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O4/c1-26-6-4-3-5-7(27-2)8(6)15(24)23-16(25)22-14-12(20)10(18)9(17)11(19)13(14)21/h3-5H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
2,6-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide has a molecular weight of 390.26 g/mol, XLogP of 3.36, 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-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 2800297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).