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

C15H15BrClNO2 — CID 103989173

IUPAC3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(Br)c2Cl)c(C)o1
InChIInChI=1S/C15H15BrClNO2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyYOARSHFCICLHNU-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.80
Rot. Bonds3

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

3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (PubChem CID 103989173) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
PubChem CID103989173
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(Br)c2Cl)c(C)o1
InChIInChI=1S/C15H15BrClNO2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyYOARSHFCICLHNU-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

2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (CID 103989173) is 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2cccc(Br)c2Cl)c(C)o1.
What is the InChIKey of 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The InChIKey is YOARSHFCICLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
3-bromo-2-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-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is sourced from PubChem (CID 103989173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).