3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

C15H13Br2NO2 — CID 3493450

IUPAC3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-14(20-2)13(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyDDEAFFAOGNZEJI-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.78
Rot. Bonds3

About 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (PubChem CID 3493450) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
PubChem CID3493450
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-14(20-2)13(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyDDEAFFAOGNZEJI-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (CID 3493450) is 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The InChIKey is DDEAFFAOGNZEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-14(20-2)13(17)8-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.78, 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-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 3493450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).