N-[(3-bromo-4-methoxyphenyl)methyl]benzamide

C15H14BrNO2 — CID 72547442

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-19-14-8-7-11(9-13(14)16)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMKDDMSHRGIOYFT-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.39
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]benzamide

N-[(3-bromo-4-methoxyphenyl)methyl]benzamide (PubChem CID 72547442) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]benzamide
PubChem CID72547442
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-19-14-8-7-11(9-13(14)16)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMKDDMSHRGIOYFT-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
CID 60621590
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173
N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylmethoxypropanamide
CID 60620947
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
2-[(3-bromo-4-methoxyphenyl)methylamino]benzoic acid
CID 43774574

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]benzamide (CID 72547442) is N-[(3-bromo-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]benzamide?
The InChIKey is MKDDMSHRGIOYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-14-8-7-11(9-13(14)16)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]benzamide?
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 72547442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).