5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide

C21H18BrNO2 — CID 51356954

IUPAC5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide
SMILESCc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C21H18BrNO2/c1-15-6-5-9-18(12-15)23-21(24)19-13-17(22)10-11-20(19)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyQGOKQMWDZNFWCI-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.59
Rot. Bonds5

About 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide

5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide (PubChem CID 51356954) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide
PubChem CID51356954
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC Name5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide
SMILESCc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C21H18BrNO2/c1-15-6-5-9-18(12-15)23-21(24)19-13-17(22)10-11-20(19)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyQGOKQMWDZNFWCI-UHFFFAOYSA-N
XLogP5.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
Benzofurane-7-carboxamide, 2,3-dihydro-5-bromo-N-(3-trifluoromethylphenyl)-
CID 614539
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
CID 53301913
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
CID 953794
2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943
N-(4-Benzoylamino-phenyl)-2-ethoxy-benzamide
CID 1096891
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956
[2-(2-Bromo-4-methylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2369164
N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
CID 3350285
N-(2-methoxyphenyl)-2-phenoxybenzamide
CID 3699930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide (CID 51356954) is 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide is Cc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide?
The InChIKey is QGOKQMWDZNFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c1-15-6-5-9-18(12-15)23-21(24)19-13-17(22)10-11-20(19)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide?
5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide has a molecular weight of 396.28 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylphenyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 51356954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).