3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide

C14H10Br3NO2 — CID 107980534

IUPAC3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1Br
InChIInChI=1S/C14H10Br3NO2/c1-20-13-7-11(2-3-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,18,19)
InChIKeyAMPWDINQGHGNIF-UHFFFAOYSA-N
MW463.95 g/mol
LogP5.24
Rot. Bonds3

About 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide

3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide (PubChem CID 107980534) has the molecular formula C14H10Br3NO2 and a molecular weight of 463.95 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
PubChem CID107980534
Molecular FormulaC14H10Br3NO2
Molecular Weight463.95 g/mol
Exact Mass460.83
IUPAC Name3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1Br
InChIInChI=1S/C14H10Br3NO2/c1-20-13-7-11(2-3-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,18,19)
InChIKeyAMPWDINQGHGNIF-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.95
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide (CID 107980534) is 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1Br.
What is the InChIKey of 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The InChIKey is AMPWDINQGHGNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3NO2/c1-20-13-7-11(2-3-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,18,19).
What are the key properties of 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide?
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide has a molecular weight of 463.95 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide is sourced from PubChem (CID 107980534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).