3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one

C18H15Br2NO2 — CID 102354713

IUPAC3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one
SMILESO=C1OC(N(Cc2ccccc2)Cc2ccccc2)C(Br)=C1Br
InChIInChI=1S/C18H15Br2NO2/c19-15-16(20)18(22)23-17(15)21(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyZFDJMIWPZAYNLC-UHFFFAOYSA-N
MW437.13 g/mol
LogP4.57
Rot. Bonds5

About 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one

3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one (PubChem CID 102354713) has the molecular formula C18H15Br2NO2 and a molecular weight of 437.13 g/mol. Its IUPAC name is 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one
PubChem CID102354713
Molecular FormulaC18H15Br2NO2
Molecular Weight437.13 g/mol
Exact Mass434.95
IUPAC Name3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one
SMILESO=C1OC(N(Cc2ccccc2)Cc2ccccc2)C(Br)=C1Br
InChIInChI=1S/C18H15Br2NO2/c19-15-16(20)18(22)23-17(15)21(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyZFDJMIWPZAYNLC-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70144747
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CID 95906850
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
CID 137450440
3-(dibenzylamino)pyrrolidin-2-one
CID 85390185
(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
CID 23631625
(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 11025339
4-(dibenzylamino)cyclohexan-1-one;N,N-dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 159434251
lithium N,N-dibenzylcyclopropanamine
CID 134888964
benzyl(bromo)carbamic acid
CID 87217964
3-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]-3H-2-benzofuran-1-one
CID 19245259
4-(dibenzylamino)oxolan-3-ol
CID 130502990

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one?
The IUPAC name of 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one (CID 102354713) is 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one.
What is the SMILES notation for 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one?
The canonical SMILES for 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one is O=C1OC(N(Cc2ccccc2)Cc2ccccc2)C(Br)=C1Br.
What is the InChIKey of 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one?
The InChIKey is ZFDJMIWPZAYNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO2/c19-15-16(20)18(22)23-17(15)21(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2.
What are the key properties of 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one?
3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one has a molecular weight of 437.13 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-(dibenzylamino)-2H-furan-5-one is sourced from PubChem (CID 102354713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).