2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide

C16H16BrN3O2 — CID 112993174

IUPAC2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(Br)c1)NCc1ccncc1
InChIInChI=1S/C16H16BrN3O2/c17-14-3-1-2-13(8-14)9-15(21)20-11-16(22)19-10-12-4-6-18-7-5-12/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyLZOSWOQBILZCFT-UHFFFAOYSA-N
MW362.23 g/mol
LogP1.82
Rot. Bonds6

About 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide

2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide (PubChem CID 112993174) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
PubChem CID112993174
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(Br)c1)NCc1ccncc1
InChIInChI=1S/C16H16BrN3O2/c17-14-3-1-2-13(8-14)9-15(21)20-11-16(22)19-10-12-4-6-18-7-5-12/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyLZOSWOQBILZCFT-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide (CID 112993174) is 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide is O=C(CNC(=O)Cc1cccc(Br)c1)NCc1ccncc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide?
The InChIKey is LZOSWOQBILZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-14-3-1-2-13(8-14)9-15(21)20-11-16(22)19-10-12-4-6-18-7-5-12/h1-8H,9-11H2,(H,19,22)(H,20,21).
What are the key properties of 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide has a molecular weight of 362.23 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 112993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).