3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide

C17H19BrN2O — CID 1341065

IUPAC3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyNWDPRYSTWUCESD-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.91
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide

3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide (PubChem CID 1341065) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide
PubChem CID1341065
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyNWDPRYSTWUCESD-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide (CID 1341065) is 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide is CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide?
The InChIKey is NWDPRYSTWUCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide?
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide has a molecular weight of 347.26 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 1341065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).