4-bromo-2-[(4-methoxyphenyl)methyl]benzamide

C15H14BrNO2 — CID 68508127

IUPAC4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Cc2cc(Br)ccc2C(N)=O)cc1
InChIInChI=1S/C15H14BrNO2/c1-19-13-5-2-10(3-6-13)8-11-9-12(16)4-7-14(11)15(17)18/h2-7,9H,8H2,1H3,(H2,17,18)
InChIKeyMZIYNNVXYGRXIM-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.15
Rot. Bonds4

About 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide

4-bromo-2-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 68508127) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
PubChem CID68508127
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Cc2cc(Br)ccc2C(N)=O)cc1
InChIInChI=1S/C15H14BrNO2/c1-19-13-5-2-10(3-6-13)8-11-9-12(16)4-7-14(11)15(17)18/h2-7,9H,8H2,1H3,(H2,17,18)
InChIKeyMZIYNNVXYGRXIM-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
[4-bromo-2-[(4-methoxyphenyl)methyl]phenyl]-[2-[4-bromo-2-[(4-methoxyphenyl)methyl]phenyl]phosphanylethyl]phosphane
CID 57210823
4-bromo-2-(fluoromethyl)benzamide
CID 91008252
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
4-bromo-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanylmethyl)benzamide
CID 138574517
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
4-[(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116925979
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
S-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl] 5-bromo-2-hydroxybenzenecarbothioate
CID 126394762

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide (CID 68508127) is 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(Cc2cc(Br)ccc2C(N)=O)cc1.
What is the InChIKey of 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is MZIYNNVXYGRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-13-5-2-10(3-6-13)8-11-9-12(16)4-7-14(11)15(17)18/h2-7,9H,8H2,1H3,(H2,17,18).
What are the key properties of 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide?
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 68508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).