N-benzyl-2,4,5-triphenylfuran-3-carboxamide

C30H23NO2 — CID 132516883

IUPACN-benzyl-2,4,5-triphenylfuran-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23NO2/c32-30(31-21-22-13-5-1-6-14-22)27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)33-29(27)25-19-11-4-12-20-25/h1-20H,21H2,(H,31,32)
InChIKeyUJZNQMQUIZVIDY-UHFFFAOYSA-N
MW429.52 g/mol
LogP7.21
Rot. Bonds6

About N-benzyl-2,4,5-triphenylfuran-3-carboxamide

N-benzyl-2,4,5-triphenylfuran-3-carboxamide (PubChem CID 132516883) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-benzyl-2,4,5-triphenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4,5-triphenylfuran-3-carboxamide
PubChem CID132516883
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC NameN-benzyl-2,4,5-triphenylfuran-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23NO2/c32-30(31-21-22-13-5-1-6-14-22)27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)33-29(27)25-19-11-4-12-20-25/h1-20H,21H2,(H,31,32)
InChIKeyUJZNQMQUIZVIDY-UHFFFAOYSA-N
XLogP7.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
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N-benzyl-6-(2-hydroxyethyl)-3,4-dimethyl-2-phenylbenzamide
CID 23344325
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
CID 628678
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
N-benzyl-2-(2-hydroxypropyl)-6-phenylbenzamide
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CID 18833832

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,5-triphenylfuran-3-carboxamide?
The IUPAC name of N-benzyl-2,4,5-triphenylfuran-3-carboxamide (CID 132516883) is N-benzyl-2,4,5-triphenylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-2,4,5-triphenylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-2,4,5-triphenylfuran-3-carboxamide is O=C(NCc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-benzyl-2,4,5-triphenylfuran-3-carboxamide?
The InChIKey is UJZNQMQUIZVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2/c32-30(31-21-22-13-5-1-6-14-22)27-26(23-15-7-2-8-16-23)28(24-17-9-3-10-18-24)33-29(27)25-19-11-4-12-20-25/h1-20H,21H2,(H,31,32).
What are the key properties of N-benzyl-2,4,5-triphenylfuran-3-carboxamide?
N-benzyl-2,4,5-triphenylfuran-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,5-triphenylfuran-3-carboxamide is sourced from PubChem (CID 132516883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).