2-bromo-5-methoxy-N-phenylmethoxybenzamide

C15H14BrNO3 — CID 41248162

IUPAC2-bromo-5-methoxy-N-phenylmethoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO3/c1-19-12-7-8-14(16)13(9-12)15(18)17-20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyCDZVSMCMLHOHQD-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.32
Rot. Bonds5

About 2-bromo-5-methoxy-N-phenylmethoxybenzamide

2-bromo-5-methoxy-N-phenylmethoxybenzamide (PubChem CID 41248162) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-phenylmethoxybenzamide
PubChem CID41248162
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-bromo-5-methoxy-N-phenylmethoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO3/c1-19-12-7-8-14(16)13(9-12)15(18)17-20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyCDZVSMCMLHOHQD-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752
3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
(4-methoxycarbonylphenyl)methyl 2-bromo-5-methoxybenzoate
CID 2637273
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
CID 9116244
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-phenylmethoxybenzamide?
The IUPAC name of 2-bromo-5-methoxy-N-phenylmethoxybenzamide (CID 41248162) is 2-bromo-5-methoxy-N-phenylmethoxybenzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-phenylmethoxybenzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-phenylmethoxybenzamide is COc1ccc(Br)c(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-phenylmethoxybenzamide?
The InChIKey is CDZVSMCMLHOHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-12-7-8-14(16)13(9-12)15(18)17-20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-methoxy-N-phenylmethoxybenzamide?
2-bromo-5-methoxy-N-phenylmethoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-phenylmethoxybenzamide is sourced from PubChem (CID 41248162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).