2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide

C17H19BrN2O — CID 107983060

IUPAC2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-13-7-5-8-14(10-13)20-17(21)15-9-4-6-12(2)16(15)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyXBSOLMASMUMAPY-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.12
Rot. Bonds5

About 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide

2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide (PubChem CID 107983060) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
PubChem CID107983060
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(C)c2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-13-7-5-8-14(10-13)20-17(21)15-9-4-6-12(2)16(15)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyXBSOLMASMUMAPY-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[3-(bromomethyl)phenyl]-3-methylbenzamide
CID 114024071
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide (CID 107983060) is 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide is CCNCc1cccc(NC(=O)c2cccc(C)c2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide?
The InChIKey is XBSOLMASMUMAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-19-11-13-7-5-8-14(10-13)20-17(21)15-9-4-6-12(2)16(15)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide?
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 107983060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).