N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide

C11H16BrNO2 — CID 114315324

IUPACN-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccco1
InChIInChI=1S/C11H16BrNO2/c1-3-11(4-2,8-12)13-10(14)9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFIXNTYOXEDWYAV-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.96
Rot. Bonds5

About N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide

N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide (PubChem CID 114315324) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
PubChem CID114315324
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccco1
InChIInChI=1S/C11H16BrNO2/c1-3-11(4-2,8-12)13-10(14)9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFIXNTYOXEDWYAV-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103602259
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-methylbenzamide
CID 113275775
N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-fluorobenzamide
CID 114020482
N-[3-(bromomethyl)pentan-3-yl]-5-methylthiophene-2-carboxamide
CID 114315214
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-chlorofuran-2-carboxamide
CID 18537247

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide (CID 114315324) is N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide is CCC(CC)(CBr)NC(=O)c1ccco1.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The InChIKey is FIXNTYOXEDWYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-11(4-2,8-12)13-10(14)9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 114315324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).