3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide

C17H19BrN2O — CID 81459743

IUPAC3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-14-6-4-5-7-16(14)20-17(21)13-9-8-12(2)15(18)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyUOKGYBALCOLAOV-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.12
Rot. Bonds5

About 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide

3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide (PubChem CID 81459743) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
PubChem CID81459743
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-14-6-4-5-7-16(14)20-17(21)13-9-8-12(2)15(18)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyUOKGYBALCOLAOV-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

Analyze 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide (CID 81459743) is 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide is CCNCc1ccccc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide?
The InChIKey is UOKGYBALCOLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-19-11-14-6-4-5-7-16(14)20-17(21)13-9-8-12(2)15(18)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide?
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-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 3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 81459743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).