3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide

C24H24BrNO3 — CID 5015418

IUPAC3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1
InChIInChI=1S/C24H24BrNO3/c1-4-28-23-20(25)13-19(14-22(23)29-15-18-10-6-5-7-11-18)24(27)26-21-12-8-9-16(2)17(21)3/h5-14H,4,15H2,1-3H3,(H,26,27)
InChIKeyDACUVMJKBPKCHP-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.30
Rot. Bonds7

About 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide

3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide (PubChem CID 5015418) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
PubChem CID5015418
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1
InChIInChI=1S/C24H24BrNO3/c1-4-28-23-20(25)13-19(14-22(23)29-15-18-10-6-5-7-11-18)24(27)26-21-12-8-9-16(2)17(21)3/h5-14H,4,15H2,1-3H3,(H,26,27)
InChIKeyDACUVMJKBPKCHP-UHFFFAOYSA-N
XLogP6.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 3579637
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
CID 55660483
7-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661491
N-[(E)-[3-bromo-4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126258167
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide (CID 5015418) is 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide is CCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1.
What is the InChIKey of 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide?
The InChIKey is DACUVMJKBPKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-4-28-23-20(25)13-19(14-22(23)29-15-18-10-6-5-7-11-18)24(27)26-21-12-8-9-16(2)17(21)3/h5-14H,4,15H2,1-3H3,(H,26,27).
What are the key properties of 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide?
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide has a molecular weight of 454.36 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide is sourced from PubChem (CID 5015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).