N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide

C15H16BrNO2 — CID 9204093

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-10(2)15(18)17-9-13-7-8-14(19-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeySCGLQXOUUHGMOX-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.98
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide (PubChem CID 9204093) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide
PubChem CID9204093
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-10(2)15(18)17-9-13-7-8-14(19-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeySCGLQXOUUHGMOX-UHFFFAOYSA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide (CID 9204093) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide?
The InChIKey is SCGLQXOUUHGMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(2)15(18)17-9-13-7-8-14(19-13)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide has a molecular weight of 322.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 9204093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).