4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide

C8H9BrClNO2 — CID 97178945

IUPAC4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c(Cl)o1
InChIInChI=1S/C8H9BrClNO2/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12)
InChIKeySVCYSBXMUMCOOB-UHFFFAOYSA-N
MW266.52 g/mol
LogP2.83
Rot. Bonds2

About 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide

4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide (PubChem CID 97178945) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide
PubChem CID97178945
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC Name4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c(Cl)o1
InChIInChI=1S/C8H9BrClNO2/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12)
InChIKeySVCYSBXMUMCOOB-UHFFFAOYSA-N
XLogP2.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-chloro-N-propan-2-ylfuran-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

4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
CID 158752284
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
CID 117218137
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 15692944
4,5-dibromo-N-methylfuran-2-carboxamide
CID 146434116
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-cyano-N-propan-2-ylfuran-2-carboxamide
CID 130675979
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide (CID 97178945) is 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1cc(Br)c(Cl)o1.
What is the InChIKey of 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is SVCYSBXMUMCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide?
4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 266.52 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 97178945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).