4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

C16H18BrNO2 — CID 102851452

IUPAC4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H18BrNO2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,18,19)
InChIKeyPWQDBAYWXRKVPB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.93
Rot. Bonds6

About 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 102851452) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID102851452
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C16H18BrNO2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,18,19)
InChIKeyPWQDBAYWXRKVPB-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.93
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

4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 102851452) is 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is PWQDBAYWXRKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 336.23 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 102851452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).