4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide

C15H16BrNO2 — CID 113241873

IUPAC4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNO2/c1-11(9-14-3-2-8-19-14)17-15(18)13-6-4-12(10-16)5-7-13/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyXASZQFJOQGIKEE-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.54
Rot. Bonds5

About 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide

4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 113241873) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID113241873
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNO2/c1-11(9-14-3-2-8-19-14)17-15(18)13-6-4-12(10-16)5-7-13/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyXASZQFJOQGIKEE-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.54
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-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 113241873) is 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is XASZQFJOQGIKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11(9-14-3-2-8-19-14)17-15(18)13-6-4-12(10-16)5-7-13/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 322.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 113241873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).