2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide

C15H16BrNO3 — CID 106853262

IUPAC2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-10(2-3-11-4-6-12(18)7-5-11)17-15(19)13-8-9-20-14(13)16/h4-10,18H,2-3H2,1H3,(H,17,19)
InChIKeyGXJQUHLIFPMOIN-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.50
Rot. Bonds5

About 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide

2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide (PubChem CID 106853262) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
PubChem CID106853262
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-10(2-3-11-4-6-12(18)7-5-11)17-15(19)13-8-9-20-14(13)16/h4-10,18H,2-3H2,1H3,(H,17,19)
InChIKeyGXJQUHLIFPMOIN-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 66484690
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
CID 42952795
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide (CID 106853262) is 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide?
The InChIKey is GXJQUHLIFPMOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10(2-3-11-4-6-12(18)7-5-11)17-15(19)13-8-9-20-14(13)16/h4-10,18H,2-3H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide?
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 106853262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).