2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide

C16H17BrN2O2 — CID 43600896

IUPAC2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-18-10-11-5-3-4-6-15(11)19-16(20)13-9-12(21-2)7-8-14(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFKLNUSOBAWJFRI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.43
Rot. Bonds5

About 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide

2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 43600896) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID43600896
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-18-10-11-5-3-4-6-15(11)19-16(20)13-9-12(21-2)7-8-14(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFKLNUSOBAWJFRI-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43602404
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
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N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114309582
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
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2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide (CID 43600896) is 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is FKLNUSOBAWJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-10-11-5-3-4-6-15(11)19-16(20)13-9-12(21-2)7-8-14(13)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide?
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43600896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).