4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide

C13H12BrNO3 — CID 103871268

IUPAC4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(Br)c(O)c1)c1ccco1
InChIInChI=1S/C13H12BrNO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h2-8,16H,1H3,(H,15,17)
InChIKeyKPERFVCDIPLUSN-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide

4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide (PubChem CID 103871268) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
PubChem CID103871268
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(Br)c(O)c1)c1ccco1
InChIInChI=1S/C13H12BrNO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h2-8,16H,1H3,(H,15,17)
InChIKeyKPERFVCDIPLUSN-UHFFFAOYSA-N
XLogP3.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
4-bromo-N-[(1S)-1-(furan-2-yl)ethyl]-3-nitrobenzamide
CID 9482035
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide (CID 103871268) is 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide is CC(NC(=O)c1ccc(Br)c(O)c1)c1ccco1.
What is the InChIKey of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide?
The InChIKey is KPERFVCDIPLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h2-8,16H,1H3,(H,15,17).
What are the key properties of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide?
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide has a molecular weight of 310.15 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 103871268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).