3-[(2-bromophenyl)methyl-methylamino]propanamide

C11H15BrN2O — CID 17477682

IUPAC3-[(2-bromophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(N)=O)Cc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15)
InChIKeyMUUHBGHVBAJHCL-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.76
Rot. Bonds5

About 3-[(2-bromophenyl)methyl-methylamino]propanamide

3-[(2-bromophenyl)methyl-methylamino]propanamide (PubChem CID 17477682) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-methylamino]propanamide
PubChem CID17477682
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-[(2-bromophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(N)=O)Cc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15)
InChIKeyMUUHBGHVBAJHCL-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]propanamide?
The IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]propanamide (CID 17477682) is 3-[(2-bromophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-methylamino]propanamide?
The canonical SMILES for 3-[(2-bromophenyl)methyl-methylamino]propanamide is CN(CCC(N)=O)Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl-methylamino]propanamide?
The InChIKey is MUUHBGHVBAJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15).
What are the key properties of 3-[(2-bromophenyl)methyl-methylamino]propanamide?
3-[(2-bromophenyl)methyl-methylamino]propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 17477682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).