N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide

C20H16N2O3 — CID 34818899

IUPACN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccco1
InChIInChI=1S/C20H16N2O3/c23-19(18-6-3-13-25-18)21-16-9-7-15(8-10-16)20(24)22-12-11-14-4-1-2-5-17(14)22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyYKIPSWYIZYVCQQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.73
Rot. Bonds3

About N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide

N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 34818899) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID34818899
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccco1
InChIInChI=1S/C20H16N2O3/c23-19(18-6-3-13-25-18)21-16-9-7-15(8-10-16)20(24)22-12-11-14-4-1-2-5-17(14)22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyYKIPSWYIZYVCQQ-UHFFFAOYSA-N
XLogP3.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide (CID 34818899) is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccco1.
What is the InChIKey of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is YKIPSWYIZYVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(18-6-3-13-25-18)21-16-9-7-15(8-10-16)20(24)22-12-11-14-4-1-2-5-17(14)22/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 34818899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).