4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline

C17H16Cl2FNO — CID 118456162

IUPAC4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline
SMILESNc1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)c(F)c1
InChIInChI=1S/C17H16Cl2FNO/c18-11-3-5-13(14(19)9-11)17(7-1-2-8-17)22-16-6-4-12(21)10-15(16)20/h3-6,9-10H,1-2,7-8,21H2
InChIKeyQOAMSTZWNZABSW-UHFFFAOYSA-N
MW340.23 g/mol
LogP5.56
Rot. Bonds3

About 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline

4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline (PubChem CID 118456162) has the molecular formula C17H16Cl2FNO and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline
PubChem CID118456162
Molecular FormulaC17H16Cl2FNO
Molecular Weight340.23 g/mol
Exact Mass339.06
IUPAC Name4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline
SMILESNc1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)c(F)c1
InChIInChI=1S/C17H16Cl2FNO/c18-11-3-5-13(14(19)9-11)17(7-1-2-8-17)22-16-6-4-12(21)10-15(16)20/h3-6,9-10H,1-2,7-8,21H2
InChIKeyQOAMSTZWNZABSW-UHFFFAOYSA-N
XLogP5.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.23
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

CID 2790525
CID 2790525
CID 46175137
CID 46175137
CID 730986
CID 730986
CID 46175136
CID 46175136
CID 730770
CID 730770
CID 19047092
CID 19047092
CID 20118646
CID 20118646
CID 21249850
CID 21249850
CID 21667237
CID 21667237
CID 28972732
CID 28972732
CID 43259331
CID 43259331
CID 43259333
CID 43259333

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline?
The IUPAC name of 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline (CID 118456162) is 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline is Nc1ccc(OC2(c3ccc(Cl)cc3Cl)CCCC2)c(F)c1.
What is the InChIKey of 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline?
The InChIKey is QOAMSTZWNZABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO/c18-11-3-5-13(14(19)9-11)17(7-1-2-8-17)22-16-6-4-12(21)10-15(16)20/h3-6,9-10H,1-2,7-8,21H2.
What are the key properties of 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline?
4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline has a molecular weight of 340.23 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline is sourced from PubChem (CID 118456162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).