5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one

C16H19BrN2O — CID 60943167

IUPAC5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one
SMILESCCC(Nc1ccc(=O)n(CC)c1)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-15(12-6-5-7-13(17)10-12)18-14-8-9-16(20)19(4-2)11-14/h5-11,15,18H,3-4H2,1-2H3
InChIKeyNBPBHRWZBGCZPJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.19
Rot. Bonds5

About 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one

5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one (PubChem CID 60943167) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one
PubChem CID60943167
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one
SMILESCCC(Nc1ccc(=O)n(CC)c1)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-15(12-6-5-7-13(17)10-12)18-14-8-9-16(20)19(4-2)11-14/h5-11,15,18H,3-4H2,1-2H3
InChIKeyNBPBHRWZBGCZPJ-UHFFFAOYSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
4-bromo-N-[1-(3-bromophenyl)propyl]-3-nitroaniline
CID 79753302
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
N-[1-(3-bromophenyl)propyl]-4-nitroaniline
CID 43785825
N-[1-(3-bromophenyl)propyl]-3-chloro-4-nitroaniline
CID 82865451
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-[1-(3-bromophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43766247
1-N-[1-(3-bromophenyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377343
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one (CID 60943167) is 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one is CCC(Nc1ccc(=O)n(CC)c1)c1cccc(Br)c1.
What is the InChIKey of 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one?
The InChIKey is NBPBHRWZBGCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-15(12-6-5-7-13(17)10-12)18-14-8-9-16(20)19(4-2)11-14/h5-11,15,18H,3-4H2,1-2H3.
What are the key properties of 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one?
5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one has a molecular weight of 335.25 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 60943167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).