5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole

C16H17Cl2NO — CID 21421143

IUPAC5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole
SMILESClc1ccc(CCCCn2cc3c(c2)COC3)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-5-4-12(7-16(15)18)3-1-2-6-19-8-13-10-20-11-14(13)9-19/h4-5,7-9H,1-3,6,10-11H2
InChIKeyHANSFAMTJXYAAL-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole

5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole (PubChem CID 21421143) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole
PubChem CID21421143
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole
SMILESClc1ccc(CCCCn2cc3c(c2)COC3)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-5-4-12(7-16(15)18)3-1-2-6-19-8-13-10-20-11-14(13)9-19/h4-5,7-9H,1-3,6,10-11H2
InChIKeyHANSFAMTJXYAAL-UHFFFAOYSA-N
XLogP4.85
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole (CID 21421143) is 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole is Clc1ccc(CCCCn2cc3c(c2)COC3)cc1Cl.
What is the InChIKey of 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole?
The InChIKey is HANSFAMTJXYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-15-5-4-12(7-16(15)18)3-1-2-6-19-8-13-10-20-11-14(13)9-19/h4-5,7-9H,1-3,6,10-11H2.
What are the key properties of 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole?
5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 21421143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).