3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide

C15H15BrN2O2 — CID 61401758

IUPAC3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2Br)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAWMSLXJZEBIWGL-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide

3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide (PubChem CID 61401758) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
PubChem CID61401758
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2Br)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAWMSLXJZEBIWGL-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
CID 82990987
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide (CID 61401758) is 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccccc2Br)cc1N.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide?
The InChIKey is AWMSLXJZEBIWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide?
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 61401758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).