2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide

C11H14BrNO4 — CID 107091848

IUPAC2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccoc1Br
InChIInChI=1S/C11H14BrNO4/c12-9-8(1-4-17-9)10(15)13-11(7-14)2-5-16-6-3-11/h1,4,14H,2-3,5-7H2,(H,13,15)
InChIKeyKSDXXXMXZSHGAX-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.31
Rot. Bonds3

About 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide

2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide (PubChem CID 107091848) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
PubChem CID107091848
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccoc1Br
InChIInChI=1S/C11H14BrNO4/c12-9-8(1-4-17-9)10(15)13-11(7-14)2-5-16-6-3-11/h1,4,14H,2-3,5-7H2,(H,13,15)
InChIKeyKSDXXXMXZSHGAX-UHFFFAOYSA-N
XLogP1.31
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide
CID 106856218
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
1-[(2-bromofuran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106850899
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide (CID 107091848) is 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide is O=C(NC1(CO)CCOCC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide?
The InChIKey is KSDXXXMXZSHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c12-9-8(1-4-17-9)10(15)13-11(7-14)2-5-16-6-3-11/h1,4,14H,2-3,5-7H2,(H,13,15).
What are the key properties of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide?
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide has a molecular weight of 304.14 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide is sourced from PubChem (CID 107091848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).