2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide

C12H16BrClN2O — CID 66158893

IUPAC2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-2-5-16-12(17)8-15-7-9-6-10(14)3-4-11(9)13/h3-4,6,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyRQPQAVHLOYYRQH-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.72
Rot. Bonds6

About 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide

2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide (PubChem CID 66158893) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
PubChem CID66158893
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-2-5-16-12(17)8-15-7-9-6-10(14)3-4-11(9)13/h3-4,6,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyRQPQAVHLOYYRQH-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 66160355
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
N-[(2-bromo-5-chlorophenyl)methyl]-2-methylsulfinylethanamine
CID 115660120
3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
CID 43567385
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-propylacetamide
CID 78959666
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide (CID 66158893) is 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide?
The InChIKey is RQPQAVHLOYYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-5-16-12(17)8-15-7-9-6-10(14)3-4-11(9)13/h3-4,6,15H,2,5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide?
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide has a molecular weight of 319.63 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 66158893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).