2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

C18H14BrNO2 — CID 119103328

IUPAC2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Br
InChIInChI=1S/C18H14BrNO2/c19-17-4-2-1-3-16(17)18(21)20-11-13-5-7-14(8-6-13)15-9-10-22-12-15/h1-10,12H,11H2,(H,20,21)
InChIKeySJBOKGJLSQJAIB-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.64
Rot. Bonds4

About 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (PubChem CID 119103328) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
PubChem CID119103328
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Br
InChIInChI=1S/C18H14BrNO2/c19-17-4-2-1-3-16(17)18(21)20-11-13-5-7-14(8-6-13)15-9-10-22-12-15/h1-10,12H,11H2,(H,20,21)
InChIKeySJBOKGJLSQJAIB-UHFFFAOYSA-N
XLogP4.64
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
CID 121020532
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (CID 119103328) is 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
The InChIKey is SJBOKGJLSQJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-17-4-2-1-3-16(17)18(21)20-11-13-5-7-14(8-6-13)15-9-10-22-12-15/h1-10,12H,11H2,(H,20,21).
What are the key properties of 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide has a molecular weight of 356.22 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 119103328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).