2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide

C13H18BrClN2O — CID 81495089

IUPAC2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-3-6-16-13(18)9(2)17-8-10-4-5-11(15)7-12(10)14/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyMIINZWVAINTYGC-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.11
Rot. Bonds6

About 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide

2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide (PubChem CID 81495089) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
PubChem CID81495089
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-3-6-16-13(18)9(2)17-8-10-4-5-11(15)7-12(10)14/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyMIINZWVAINTYGC-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
CID 115556585
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]hexanoic acid
CID 120511592
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 120510811
N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide (CID 81495089) is 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide?
The InChIKey is MIINZWVAINTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-3-6-16-13(18)9(2)17-8-10-4-5-11(15)7-12(10)14/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide?
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide has a molecular weight of 333.66 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 81495089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).