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

C17H19BrN2O — CID 65311478

IUPAC5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-13-6-4-5-7-16(13)20-17(21)15-10-14(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyAFBXBHZLTIHDFJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.12
Rot. Bonds5

About 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide

5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide (PubChem CID 65311478) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
PubChem CID65311478
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C17H19BrN2O/c1-3-19-11-13-6-4-5-7-16(13)20-17(21)15-10-14(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyAFBXBHZLTIHDFJ-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

5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide (CID 65311478) is 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide is CCNCc1ccccc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The InChIKey is AFBXBHZLTIHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-19-11-13-6-4-5-7-16(13)20-17(21)15-10-14(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-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 5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 65311478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).