3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide

C14H11Br2NO2 — CID 79421204

IUPAC3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2)ccc1Br
InChIInChI=1S/C14H11Br2NO2/c1-19-13-8-11(5-6-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyIUKMVIUUQVQURG-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.47
Rot. Bonds3

About 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide

3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide (PubChem CID 79421204) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
PubChem CID79421204
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2)ccc1Br
InChIInChI=1S/C14H11Br2NO2/c1-19-13-8-11(5-6-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyIUKMVIUUQVQURG-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
3-[(3-bromobenzoyl)amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 171135912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide (CID 79421204) is 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(Br)c2)ccc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide?
The InChIKey is IUKMVIUUQVQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c1-19-13-8-11(5-6-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide?
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide has a molecular weight of 385.06 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide is sourced from PubChem (CID 79421204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).