5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide

C12H16BrNO3 — CID 102862780

IUPAC5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(CCCO)C1CCC1
InChIInChI=1S/C12H16BrNO3/c13-11-6-5-10(17-11)12(16)14(7-2-8-15)9-3-1-4-9/h5-6,9,15H,1-4,7-8H2
InChIKeyNGTHXMPTIRSLHL-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.42
Rot. Bonds5

About 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide

5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide (PubChem CID 102862780) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
PubChem CID102862780
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(CCCO)C1CCC1
InChIInChI=1S/C12H16BrNO3/c13-11-6-5-10(17-11)12(16)14(7-2-8-15)9-3-1-4-9/h5-6,9,15H,1-4,7-8H2
InChIKeyNGTHXMPTIRSLHL-UHFFFAOYSA-N
XLogP2.42
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
N-cyclobutyl-N-(3-hydroxypropyl)-1-benzofuran-2-carboxamide
CID 102866226
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
4-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-2-sulfanylbenzamide
CID 107036757

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide (CID 102862780) is 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide is O=C(c1ccc(Br)o1)N(CCCO)C1CCC1.
What is the InChIKey of 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The InChIKey is NGTHXMPTIRSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c13-11-6-5-10(17-11)12(16)14(7-2-8-15)9-3-1-4-9/h5-6,9,15H,1-4,7-8H2.
What are the key properties of 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide?
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide is sourced from PubChem (CID 102862780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).