3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide

C15H16BrNO3 — CID 90605052

IUPAC3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C15H16BrNO3/c1-15(19,9-13-6-3-7-20-13)10-17-14(18)11-4-2-5-12(16)8-11/h2-8,19H,9-10H2,1H3,(H,17,18)
InChIKeyZUWGSJQSDNHYIC-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.77
Rot. Bonds5

About 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide

3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 90605052) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID90605052
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C15H16BrNO3/c1-15(19,9-13-6-3-7-20-13)10-17-14(18)11-4-2-5-12(16)8-11/h2-8,19H,9-10H2,1H3,(H,17,18)
InChIKeyZUWGSJQSDNHYIC-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-methyl-4-nitrobenzamide
CID 90605026
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
CID 113053874

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide (CID 90605052) is 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide is CC(O)(CNC(=O)c1cccc(Br)c1)Cc1ccco1.
What is the InChIKey of 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is ZUWGSJQSDNHYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-15(19,9-13-6-3-7-20-13)10-17-14(18)11-4-2-5-12(16)8-11/h2-8,19H,9-10H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide?
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 338.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 90605052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).