3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide

C17H18BrN3O2 — CID 60615561

IUPAC3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
SMILESO=C(CCc1ccccn1)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c18-14-5-3-4-13(12-14)17(23)21-11-10-20-16(22)8-7-15-6-1-2-9-19-15/h1-6,9,12H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyRKNOSYRQYWUKGG-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.32
Rot. Bonds7

About 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide

3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide (PubChem CID 60615561) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
PubChem CID60615561
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
SMILESO=C(CCc1ccccn1)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2/c18-14-5-3-4-13(12-14)17(23)21-11-10-20-16(22)8-7-15-6-1-2-9-19-15/h1-6,9,12H,7-8,10-11H2,(H,20,22)(H,21,23)
InChIKeyRKNOSYRQYWUKGG-UHFFFAOYSA-N
XLogP2.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(4-oxopentanoylamino)ethyl]benzamide
CID 108539699
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
CID 60610354
N-[3-(4-aminobutanoylamino)propyl]-3-bromobenzamide
CID 119312115
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
3-bromo-N-[3-[3-(4-bromo-2-fluorophenyl)propanoylamino]propyl]benzamide
CID 60622420
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide (CID 60615561) is 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide is O=C(CCc1ccccn1)NCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide?
The InChIKey is RKNOSYRQYWUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c18-14-5-3-4-13(12-14)17(23)21-11-10-20-16(22)8-7-15-6-1-2-9-19-15/h1-6,9,12H,7-8,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide?
3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 60615561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).