5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide

C21H18BrNO3 — CID 17094328

IUPAC5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H18BrNO3/c1-25-19-12-11-16(22)13-17(19)21(24)23-18-9-5-6-10-20(18)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyUXVZIEHXVOCPOA-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.29
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide

5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide (PubChem CID 17094328) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
PubChem CID17094328
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H18BrNO3/c1-25-19-12-11-16(22)13-17(19)21(24)23-18-9-5-6-10-20(18)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyUXVZIEHXVOCPOA-UHFFFAOYSA-N
XLogP5.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093702
4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
5-bromo-2-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093697
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide
CID 157466359
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide (CID 17094328) is 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide is COc1ccc(Br)cc1C(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide?
The InChIKey is UXVZIEHXVOCPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-25-19-12-11-16(22)13-17(19)21(24)23-18-9-5-6-10-20(18)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide?
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide has a molecular weight of 412.28 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 17094328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).