3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

C23H21BrClNO3 — CID 5036494

IUPAC3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H21BrClNO3/c1-14-4-7-16(8-5-14)13-29-22-19(24)10-17(11-21(22)28-3)23(27)26-18-9-6-15(2)20(25)12-18/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyHZSAZBBCRNNWLP-UHFFFAOYSA-N
MW474.78 g/mol
LogP6.56
Rot. Bonds6

About 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 5036494) has the molecular formula C23H21BrClNO3 and a molecular weight of 474.78 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID5036494
Molecular FormulaC23H21BrClNO3
Molecular Weight474.78 g/mol
Exact Mass473.04
IUPAC Name3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H21BrClNO3/c1-14-4-7-16(8-5-14)13-29-22-19(24)10-17(11-21(22)28-3)23(27)26-18-9-6-15(2)20(25)12-18/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyHZSAZBBCRNNWLP-UHFFFAOYSA-N
XLogP6.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5178991
3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 3447717
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 17058510
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268346
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (CID 5036494) is 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1.
What is the InChIKey of 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is HZSAZBBCRNNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClNO3/c1-14-4-7-16(8-5-14)13-29-22-19(24)10-17(11-21(22)28-3)23(27)26-18-9-6-15(2)20(25)12-18/h4-12H,13H2,1-3H3,(H,26,27).
What are the key properties of 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 474.78 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 5036494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).