3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide

C17H16BrF2NO3 — CID 4814298

IUPAC3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H16BrF2NO3/c1-3-6-24-16-12(18)7-10(8-15(16)23-2)17(22)21-14-5-4-11(19)9-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyJUBUVBPPAXOHTF-UHFFFAOYSA-N
MW400.22 g/mol
LogP4.78
Rot. Bonds6

About 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide

3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 4814298) has the molecular formula C17H16BrF2NO3 and a molecular weight of 400.22 g/mol. Its IUPAC name is 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
PubChem CID4814298
Molecular FormulaC17H16BrF2NO3
Molecular Weight400.22 g/mol
Exact Mass399.03
IUPAC Name3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H16BrF2NO3/c1-3-6-24-16-12(18)7-10(8-15(16)23-2)17(22)21-14-5-4-11(19)9-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyJUBUVBPPAXOHTF-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide (CID 4814298) is 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is JUBUVBPPAXOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3/c1-3-6-24-16-12(18)7-10(8-15(16)23-2)17(22)21-14-5-4-11(19)9-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide?
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 400.22 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 4814298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).