3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide

C14H10Br2ClNO2 — CID 81027184

IUPAC3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-12-4-3-9(17)7-10(12)15/h2-7H,1H3,(H,18,19)
InChIKeyUOWMNOXIISXIOW-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide

3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide (PubChem CID 81027184) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
PubChem CID81027184
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-12-4-3-9(17)7-10(12)15/h2-7H,1H3,(H,18,19)
InChIKeyUOWMNOXIISXIOW-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-4-methoxybenzamide
CID 2281585
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(2-bromo-4-chlorophenyl)-3-chloro-4-hydroxybenzamide
CID 81271353
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide (CID 81027184) is 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide?
The InChIKey is UOWMNOXIISXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-12-4-3-9(17)7-10(12)15/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide?
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 81027184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).