2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

C13H19BrN2O — CID 86813836

IUPAC2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(8-15-2)9-16-13(17)7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyZJFYSZFQEAJPAO-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.96
Rot. Bonds6

About 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (PubChem CID 86813836) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
PubChem CID86813836
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(8-15-2)9-16-13(17)7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyZJFYSZFQEAJPAO-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (CID 86813836) is 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is CNCC(C)CNC(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The InChIKey is ZJFYSZFQEAJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(8-15-2)9-16-13(17)7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide has a molecular weight of 299.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is sourced from PubChem (CID 86813836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).