N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide

C14H13BrN2O3 — CID 7964563

IUPACN-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccccc1
InChIInChI=1S/C14H13BrN2O3/c15-12-7-6-11(20-12)14(19)17-9-13(18)16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H,17,19)
InChIKeyBBEDVUIRHWLZJF-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 7964563) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID7964563
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccccc1
InChIInChI=1S/C14H13BrN2O3/c15-12-7-6-11(20-12)14(19)17-9-13(18)16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H,17,19)
InChIKeyBBEDVUIRHWLZJF-UHFFFAOYSA-N
XLogP2.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 7964563) is N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is BBEDVUIRHWLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-12-7-6-11(20-12)14(19)17-9-13(18)16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 7964563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).