3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide

C23H19ClN2O4 — CID 59190121

IUPAC3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCCO)c2)o1
InChIInChI=1S/C23H19ClN2O4/c24-16-5-7-20-18(12-16)19(23(29)26-20)13-17-6-8-21(30-17)14-3-1-4-15(11-14)22(28)25-9-2-10-27/h1,3-8,11-13,27H,2,9-10H2,(H,25,28)(H,26,29)/b19-13+
InChIKeyRUGJASFMGVWDAX-CPNJWEJPSA-N
MW422.87 g/mol
LogP4.20
Rot. Bonds6

About 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide

3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide (PubChem CID 59190121) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide
PubChem CID59190121
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCCO)c2)o1
InChIInChI=1S/C23H19ClN2O4/c24-16-5-7-20-18(12-16)19(23(29)26-20)13-17-6-8-21(30-17)14-3-1-4-15(11-14)22(28)25-9-2-10-27/h1,3-8,11-13,27H,2,9-10H2,(H,25,28)(H,26,29)/b19-13+
InChIKeyRUGJASFMGVWDAX-CPNJWEJPSA-N
XLogP4.20
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide (CID 59190121) is 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide is O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCCO)c2)o1.
What is the InChIKey of 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide?
The InChIKey is RUGJASFMGVWDAX-CPNJWEJPSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c24-16-5-7-20-18(12-16)19(23(29)26-20)13-17-6-8-21(30-17)14-3-1-4-15(11-14)22(28)25-9-2-10-27/h1,3-8,11-13,27H,2,9-10H2,(H,25,28)(H,26,29)/b19-13+.
What are the key properties of 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide?
3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide has a molecular weight of 422.87 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 59190121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).