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

C15H15Br2NO2 — CID 114372113

IUPAC2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Br)ccc2Br)c(C)o1
InChIInChI=1S/C15H15Br2NO2/c1-8-6-12(10(3)20-8)9(2)18-15(19)13-7-11(16)4-5-14(13)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyRIOGJRIFFMUNRG-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.91
Rot. Bonds3

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

2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (PubChem CID 114372113) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
PubChem CID114372113
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Br)ccc2Br)c(C)o1
InChIInChI=1S/C15H15Br2NO2/c1-8-6-12(10(3)20-8)9(2)18-15(19)13-7-11(16)4-5-14(13)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyRIOGJRIFFMUNRG-UHFFFAOYSA-N
XLogP4.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (CID 114372113) is 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2cc(Br)ccc2Br)c(C)o1.
What is the InChIKey of 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The InChIKey is RIOGJRIFFMUNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-8-6-12(10(3)20-8)9(2)18-15(19)13-7-11(16)4-5-14(13)17/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide has a molecular weight of 401.10 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is sourced from PubChem (CID 114372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).