3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide

C15H15BrClNO2 — CID 107952277

IUPAC3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)o1
InChIInChI=1S/C15H15BrClNO2/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19)
InChIKeyJKMBLEACEDVFNY-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.80
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (PubChem CID 107952277) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
PubChem CID107952277
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)o1
InChIInChI=1S/C15H15BrClNO2/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19)
InChIKeyJKMBLEACEDVFNY-UHFFFAOYSA-N
XLogP4.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
CID 107951852
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 55257306
3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
CID 107952881
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (CID 107952277) is 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)o1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The InChIKey is JKMBLEACEDVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide has a molecular weight of 356.65 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is sourced from PubChem (CID 107952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).