N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide

C16H17BrN2O2 — CID 62951377

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccccc2CN)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-5-3-2-4-11(12)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyHCSJKLNGXWGTMV-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.85
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide

N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide (PubChem CID 62951377) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
PubChem CID62951377
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccccc2CN)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-5-3-2-4-11(12)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyHCSJKLNGXWGTMV-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide (CID 62951377) is N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2ccccc2CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide?
The InChIKey is HCSJKLNGXWGTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-5-3-2-4-11(12)9-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 62951377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).