5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide

C20H18BrNO2 — CID 1312969

IUPAC5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H18BrNO2/c21-19-12-11-18(24-19)20(23)22-14-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,23)
InChIKeyNSKMQWXPFLICJF-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.99
Rot. Bonds6

About 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide

5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide (PubChem CID 1312969) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide
PubChem CID1312969
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H18BrNO2/c21-19-12-11-18(24-19)20(23)22-14-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,23)
InChIKeyNSKMQWXPFLICJF-UHFFFAOYSA-N
XLogP4.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide (CID 1312969) is 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide?
The InChIKey is NSKMQWXPFLICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c21-19-12-11-18(24-19)20(23)22-14-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,23).
What are the key properties of 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide?
5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-diphenylpropyl)furan-2-carboxamide is sourced from PubChem (CID 1312969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).