3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide

C17H15BrF3NO3 — CID 35865220

IUPAC3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C17H15BrF3NO3/c1-3-6-25-16-10(18)7-9(8-13(16)24-2)17(23)22-12-5-4-11(19)14(20)15(12)21/h4-5,7-8H,3,6H2,1-2H3,(H,22,23)
InChIKeyGSHSSNAXBMLOMB-UHFFFAOYSA-N
MW418.21 g/mol
LogP4.92
Rot. Bonds6

About 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide

3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 35865220) has the molecular formula C17H15BrF3NO3 and a molecular weight of 418.21 g/mol. Its IUPAC name is 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID35865220
Molecular FormulaC17H15BrF3NO3
Molecular Weight418.21 g/mol
Exact Mass417.02
IUPAC Name3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C17H15BrF3NO3/c1-3-6-25-16-10(18)7-9(8-13(16)24-2)17(23)22-12-5-4-11(19)14(20)15(12)21/h4-5,7-8H,3,6H2,1-2H3,(H,22,23)
InChIKeyGSHSSNAXBMLOMB-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 54.92
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

3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 42973698
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide (CID 35865220) is 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is GSHSSNAXBMLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO3/c1-3-6-25-16-10(18)7-9(8-13(16)24-2)17(23)22-12-5-4-11(19)14(20)15(12)21/h4-5,7-8H,3,6H2,1-2H3,(H,22,23).
What are the key properties of 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide?
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 418.21 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 35865220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).