2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide

C15H16BrNO2 — CID 113338814

IUPAC2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)Cc2ccco2)c1Br
InChIInChI=1S/C15H16BrNO2/c1-10-5-3-7-13(14(10)16)15(18)17-11(2)9-12-6-4-8-19-12/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyPDERUIGZFXXDLK-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.71
Rot. Bonds4

About 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide

2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide (PubChem CID 113338814) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
PubChem CID113338814
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)Cc2ccco2)c1Br
InChIInChI=1S/C15H16BrNO2/c1-10-5-3-7-13(14(10)16)15(18)17-11(2)9-12-6-4-8-19-12/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyPDERUIGZFXXDLK-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 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-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

2-bromo-N-(4-chloropentan-2-yl)-3-methylbenzamide
CID 107984018
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
CID 107025104
2-bromo-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 107984013
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide (CID 113338814) is 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)Cc2ccco2)c1Br.
What is the InChIKey of 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide?
The InChIKey is PDERUIGZFXXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-5-3-7-13(14(10)16)15(18)17-11(2)9-12-6-4-8-19-12/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide?
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide 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 2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 113338814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).