5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

C14H14BrNO2 — CID 65309421

IUPAC5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-11(15)9-13(10)14(17)16-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyYJOYSYLIBPXTMO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.32
Rot. Bonds4

About 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (PubChem CID 65309421) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
PubChem CID65309421
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-11(15)9-13(10)14(17)16-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyYJOYSYLIBPXTMO-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide 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

3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (CID 65309421) is 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCCc1ccco1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The InChIKey is YJOYSYLIBPXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-4-5-11(15)9-13(10)14(17)16-7-6-12-3-2-8-18-12/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 65309421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).