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

C15H15BrN2O2 — CID 61090611

IUPAC5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWVASEEBZGGRGKJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.97
Rot. Bonds4

About 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide

5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide (PubChem CID 61090611) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
PubChem CID61090611
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyWVASEEBZGGRGKJ-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

5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide (CID 61090611) is 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide?
The InChIKey is WVASEEBZGGRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide?
5-amino-N-[(4-bromophenyl)methyl]-2-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 5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 61090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).