4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide

C15H12BrF2NO3 — CID 26586057

IUPAC4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)cc(OC)c1Br
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-5-8(6-13(22-2)14(12)16)15(20)19-11-4-3-9(17)7-10(11)18/h3-7H,1-2H3,(H,19,20)
InChIKeyPZNDGRZHSKPTFV-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.00
Rot. Bonds4

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

4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide (PubChem CID 26586057) has the molecular formula C15H12BrF2NO3 and a molecular weight of 372.17 g/mol. Its IUPAC name is 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
PubChem CID26586057
Molecular FormulaC15H12BrF2NO3
Molecular Weight372.17 g/mol
Exact Mass371.00
IUPAC Name4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)cc(OC)c1Br
InChIInChI=1S/C15H12BrF2NO3/c1-21-12-5-8(6-13(22-2)14(12)16)15(20)19-11-4-3-9(17)7-10(11)18/h3-7H,1-2H3,(H,19,20)
InChIKeyPZNDGRZHSKPTFV-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
CID 60597741
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide (CID 26586057) is 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(F)cc2F)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide?
The InChIKey is PZNDGRZHSKPTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3/c1-21-12-5-8(6-13(22-2)14(12)16)15(20)19-11-4-3-9(17)7-10(11)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide has a molecular weight of 372.17 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 26586057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).