5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide

C17H17BrN2O3 — CID 4883295

IUPAC5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC1CCCc2ccccc21
InChIInChI=1S/C17H17BrN2O3/c18-15-9-8-14(23-15)17(22)19-10-16(21)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,19,22)(H,20,21)
InChIKeyXWHZKVDPAGJNHW-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.97
Rot. Bonds4

About 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide (PubChem CID 4883295) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide
PubChem CID4883295
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC1CCCc2ccccc21
InChIInChI=1S/C17H17BrN2O3/c18-15-9-8-14(23-15)17(22)19-10-16(21)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,19,22)(H,20,21)
InChIKeyXWHZKVDPAGJNHW-UHFFFAOYSA-N
XLogP2.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide (CID 4883295) is 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NC1CCCc2ccccc21.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is XWHZKVDPAGJNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-15-9-8-14(23-15)17(22)19-10-16(21)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,19,22)(H,20,21).
What are the key properties of 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4883295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).