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

C26H24ClN3O3 — CID 59190177

IUPAC2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NCCN3CCCC3)c2)o1
InChIInChI=1S/C26H24ClN3O3/c27-22-9-7-17(15-21(22)25(31)28-11-14-30-12-3-4-13-30)24-10-8-18(33-24)16-20-19-5-1-2-6-23(19)29-26(20)32/h1-2,5-10,15-16H,3-4,11-14H2,(H,28,31)(H,29,32)/b20-16+
InChIKeyHWQOWILSLDLEDK-CAPFRKAQSA-N
MW461.95 g/mol
LogP4.92
Rot. Bonds6

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

2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 59190177) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID59190177
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NCCN3CCCC3)c2)o1
InChIInChI=1S/C26H24ClN3O3/c27-22-9-7-17(15-21(22)25(31)28-11-14-30-12-3-4-13-30)24-10-8-18(33-24)16-20-19-5-1-2-6-23(19)29-26(20)32/h1-2,5-10,15-16H,3-4,11-14H2,(H,28,31)(H,29,32)/b20-16+
InChIKeyHWQOWILSLDLEDK-CAPFRKAQSA-N
XLogP4.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 72539103
2-chloro-N-(1-methylpiperidin-4-yl)-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190236
4-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 72538950
methyl (3E)-2-oxo-3-[[5-[3-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]furan-2-yl]methylidene]-1H-indole-5-carboxylate
CID 59190203
N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide
CID 72539091
3-[5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 72539080
3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 59190107
methyl 4-[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 6532942
methyl 4-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 4963846
3-[[5-[3-(aminomethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539044
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfanyl]-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 142189956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 59190177) is 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NCCN3CCCC3)c2)o1.
What is the InChIKey of 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is HWQOWILSLDLEDK-CAPFRKAQSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-22-9-7-17(15-21(22)25(31)28-11-14-30-12-3-4-13-30)24-10-8-18(33-24)16-20-19-5-1-2-6-23(19)29-26(20)32/h1-2,5-10,15-16H,3-4,11-14H2,(H,28,31)(H,29,32)/b20-16+.
What are the key properties of 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 461.95 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 59190177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).