4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide

C15H13Br2NO3 — CID 26687629

IUPAC4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(Br)c2)cc(OC)c1Br
InChIInChI=1S/C15H13Br2NO3/c1-20-12-6-9(7-13(21-2)14(12)17)15(19)18-11-5-3-4-10(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyCGGNYRNEBKYLCG-UHFFFAOYSA-N
MW415.08 g/mol
LogP4.48
Rot. Bonds4

About 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide

4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide (PubChem CID 26687629) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
PubChem CID26687629
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(Br)c2)cc(OC)c1Br
InChIInChI=1S/C15H13Br2NO3/c1-20-12-6-9(7-13(21-2)14(12)17)15(19)18-11-5-3-4-10(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyCGGNYRNEBKYLCG-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide (CID 26687629) is 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cccc(Br)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide?
The InChIKey is CGGNYRNEBKYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c1-20-12-6-9(7-13(21-2)14(12)17)15(19)18-11-5-3-4-10(16)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide has a molecular weight of 415.08 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 26687629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).