4-[(5-bromo-2-methoxyanilino)methyl]benzamide

C15H15BrN2O2 — CID 61059474

IUPAC4-[(5-bromo-2-methoxyanilino)methyl]benzamide
SMILESCOc1ccc(Br)cc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(16)8-13(14)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyCLUNHCJBXWEXBN-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.17
Rot. Bonds5

About 4-[(5-bromo-2-methoxyanilino)methyl]benzamide

4-[(5-bromo-2-methoxyanilino)methyl]benzamide (PubChem CID 61059474) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxyanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxyanilino)methyl]benzamide
PubChem CID61059474
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-[(5-bromo-2-methoxyanilino)methyl]benzamide
SMILESCOc1ccc(Br)cc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(16)8-13(14)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyCLUNHCJBXWEXBN-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
2-[(3-amino-4-methoxyphenyl)methylamino]-4-bromobenzamide
CID 114906872
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
3-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylamino]-4-methoxybenzoic acid
CID 17058751
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxyanilino)methyl]benzamide?
The IUPAC name of 4-[(5-bromo-2-methoxyanilino)methyl]benzamide (CID 61059474) is 4-[(5-bromo-2-methoxyanilino)methyl]benzamide.
What is the SMILES notation for 4-[(5-bromo-2-methoxyanilino)methyl]benzamide?
The canonical SMILES for 4-[(5-bromo-2-methoxyanilino)methyl]benzamide is COc1ccc(Br)cc1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(5-bromo-2-methoxyanilino)methyl]benzamide?
The InChIKey is CLUNHCJBXWEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(16)8-13(14)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(5-bromo-2-methoxyanilino)methyl]benzamide?
4-[(5-bromo-2-methoxyanilino)methyl]benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxyanilino)methyl]benzamide is sourced from PubChem (CID 61059474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).