1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde

C20H11ClFNO3 — CID 100817346

IUPAC1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H11ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-11H
InChIKeyZFQXUAQXGMFDRU-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.19
Rot. Bonds3

About 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde

1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde (PubChem CID 100817346) has the molecular formula C20H11ClFNO3 and a molecular weight of 367.76 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde
PubChem CID100817346
Molecular FormulaC20H11ClFNO3
Molecular Weight367.76 g/mol
Exact Mass367.04
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H11ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-11H
InChIKeyZFQXUAQXGMFDRU-UHFFFAOYSA-N
XLogP5.19
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde (CID 100817346) is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde is O=Cc1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde?
The InChIKey is ZFQXUAQXGMFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-11H.
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde?
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde has a molecular weight of 367.76 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbaldehyde is sourced from PubChem (CID 100817346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).