5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide

C15H16BrNO2 — CID 47296501

IUPAC5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-10-5-3-4-6-12(10)9-11(2)17-15(18)13-7-8-14(16)19-13/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyCFCMNZYQWPLBNR-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide

5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide (PubChem CID 47296501) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
PubChem CID47296501
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-10-5-3-4-6-12(10)9-11(2)17-15(18)13-7-8-14(16)19-13/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyCFCMNZYQWPLBNR-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide (CID 47296501) is 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide is Cc1ccccc1CC(C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide?
The InChIKey is CFCMNZYQWPLBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-5-3-4-6-12(10)9-11(2)17-15(18)13-7-8-14(16)19-13/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide?
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47296501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).