N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C31H27N3O3 — CID 77449211

IUPACN-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3cc(-c4ccco4)ccc3[nH]2)cc1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C31H27N3O3/c35-30(18-21-6-2-1-3-7-21)34-16-4-8-28(34)31(36)32-25-13-10-22(11-14-25)27-20-24-19-23(12-15-26(24)33-27)29-9-5-17-37-29/h1-3,5-7,9-15,17,19-20,28,33H,4,8,16,18H2,(H,32,36)
InChIKeyTUXYYCPOAZENOT-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.27
Rot. Bonds6

About N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 77449211) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID77449211
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC NameN-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3cc(-c4ccco4)ccc3[nH]2)cc1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C31H27N3O3/c35-30(18-21-6-2-1-3-7-21)34-16-4-8-28(34)31(36)32-25-13-10-22(11-14-25)27-20-24-19-23(12-15-26(24)33-27)29-9-5-17-37-29/h1-3,5-7,9-15,17,19-20,28,33H,4,8,16,18H2,(H,32,36)
InChIKeyTUXYYCPOAZENOT-UHFFFAOYSA-N
XLogP6.27
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 77449211) is N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cc3cc(-c4ccco4)ccc3[nH]2)cc1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is TUXYYCPOAZENOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c35-30(18-21-6-2-1-3-7-21)34-16-4-8-28(34)31(36)32-25-13-10-22(11-14-25)27-20-24-19-23(12-15-26(24)33-27)29-9-5-17-37-29/h1-3,5-7,9-15,17,19-20,28,33H,4,8,16,18H2,(H,32,36).
What are the key properties of N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 77449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).