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

C22H20BrNO2 — CID 54793446

IUPAC3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C22H20BrNO2/c1-15-8-10-20(16(2)12-15)24-22(25)18-9-11-21(19(23)13-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyCMLNOQSQZSZKGW-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.90
Rot. Bonds5

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

3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide (PubChem CID 54793446) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
PubChem CID54793446
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC Name3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C22H20BrNO2/c1-15-8-10-20(16(2)12-15)24-22(25)18-9-11-21(19(23)13-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyCMLNOQSQZSZKGW-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 2-(2,4-dibromophenoxy)acetate
CID 19179693
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide (CID 54793446) is 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide is Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide?
The InChIKey is CMLNOQSQZSZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO2/c1-15-8-10-20(16(2)12-15)24-22(25)18-9-11-21(19(23)13-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide?
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide has a molecular weight of 410.31 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 54793446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).