3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide

C15H12F3NO3 — CID 4879673

IUPAC3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C15H12F3NO3/c1-21-11-6-3-8(7-12(11)22-2)15(20)19-10-5-4-9(16)13(17)14(10)18/h3-7H,1-2H3,(H,19,20)
InChIKeyVPRADRRMOWYBKO-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.37
Rot. Bonds4

About 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide

3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 4879673) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID4879673
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C15H12F3NO3/c1-21-11-6-3-8(7-12(11)22-2)15(20)19-10-5-4-9(16)13(17)14(10)18/h3-7H,1-2H3,(H,19,20)
InChIKeyVPRADRRMOWYBKO-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 84581357
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide (CID 4879673) is 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide is COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is VPRADRRMOWYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-11-6-3-8(7-12(11)22-2)15(20)19-10-5-4-9(16)13(17)14(10)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide?
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 311.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 4879673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).