2-[(4-bromo-3-methylphenyl)methylamino]propanamide

C11H15BrN2O — CID 66474598

IUPAC2-[(4-bromo-3-methylphenyl)methylamino]propanamide
SMILESCc1cc(CNC(C)C(N)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O/c1-7-5-9(3-4-10(7)12)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)
InChIKeyZBZUORMLBQSFON-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.72
Rot. Bonds4

About 2-[(4-bromo-3-methylphenyl)methylamino]propanamide

2-[(4-bromo-3-methylphenyl)methylamino]propanamide (PubChem CID 66474598) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)methylamino]propanamide
PubChem CID66474598
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[(4-bromo-3-methylphenyl)methylamino]propanamide
SMILESCc1cc(CNC(C)C(N)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O/c1-7-5-9(3-4-10(7)12)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)
InChIKeyZBZUORMLBQSFON-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
methyl (2S)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoate
CID 66472399
(2R)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120511144
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
2-[(4-bromo-3-methylphenyl)methylamino]ethylurea
CID 83109757
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030
2-[(3,4-dimethylphenyl)methylamino]propanoic acid
CID 61499358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]propanamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]propanamide (CID 66474598) is 2-[(4-bromo-3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)methylamino]propanamide is Cc1cc(CNC(C)C(N)=O)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)methylamino]propanamide?
The InChIKey is ZBZUORMLBQSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-5-9(3-4-10(7)12)6-14-8(2)11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(4-bromo-3-methylphenyl)methylamino]propanamide?
2-[(4-bromo-3-methylphenyl)methylamino]propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 66474598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).