2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide

C10H12BrNO3 — CID 106854397

IUPAC2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccoc1Br
InChIInChI=1S/C10H12BrNO3/c11-8-7(2-5-15-8)9(13)12-6-10(14)3-1-4-10/h2,5,14H,1,3-4,6H2,(H,12,13)
InChIKeyICFMOGHHLRXKFK-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.69
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide

2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide (PubChem CID 106854397) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
PubChem CID106854397
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccoc1Br
InChIInChI=1S/C10H12BrNO3/c11-8-7(2-5-15-8)9(13)12-6-10(14)3-1-4-10/h2,5,14H,1,3-4,6H2,(H,12,13)
InChIKeyICFMOGHHLRXKFK-UHFFFAOYSA-N
XLogP1.69
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445640
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
CID 106854161

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide (CID 106854397) is 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide is O=C(NCC1(O)CCC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide?
The InChIKey is ICFMOGHHLRXKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-7(2-5-15-8)9(13)12-6-10(14)3-1-4-10/h2,5,14H,1,3-4,6H2,(H,12,13).
What are the key properties of 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide?
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide has a molecular weight of 274.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106854397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).