5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide

C14H14BrNO4 — CID 19450276

IUPAC5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESO=C(NCCO)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C14H14BrNO4/c15-11-3-1-2-4-12(11)19-9-10-5-6-13(20-10)14(18)16-7-8-17/h1-6,17H,7-9H2,(H,16,18)
InChIKeyBNETXTFWDCFVCN-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.34
Rot. Bonds6

About 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide (PubChem CID 19450276) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
PubChem CID19450276
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESO=C(NCCO)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C14H14BrNO4/c15-11-3-1-2-4-12(11)19-9-10-5-6-13(20-10)14(18)16-7-8-17/h1-6,17H,7-9H2,(H,16,18)
InChIKeyBNETXTFWDCFVCN-UHFFFAOYSA-N
XLogP2.34
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279752
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide
CID 35525159
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide
CID 4748985
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
CID 35325335
5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82124888
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide (CID 19450276) is 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide is O=C(NCCO)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
The InChIKey is BNETXTFWDCFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c15-11-3-1-2-4-12(11)19-9-10-5-6-13(20-10)14(18)16-7-8-17/h1-6,17H,7-9H2,(H,16,18).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide has a molecular weight of 340.17 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide is sourced from PubChem (CID 19450276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).