2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline

C17H13ClFNO — CID 28519302

IUPAC2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
SMILESFc1ccc(-c2ccc(CNc3ccccc3Cl)o2)cc1
InChIInChI=1S/C17H13ClFNO/c18-15-3-1-2-4-16(15)20-11-14-9-10-17(21-14)12-5-7-13(19)8-6-12/h1-10,20H,11H2
InChIKeyHJYBBVHVXAOWOZ-UHFFFAOYSA-N
MW301.75 g/mol
LogP5.35
Rot. Bonds4

About 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline

2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline (PubChem CID 28519302) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
PubChem CID28519302
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
SMILESFc1ccc(-c2ccc(CNc3ccccc3Cl)o2)cc1
InChIInChI=1S/C17H13ClFNO/c18-15-3-1-2-4-16(15)20-11-14-9-10-17(21-14)12-5-7-13(19)8-6-12/h1-10,20H,11H2
InChIKeyHJYBBVHVXAOWOZ-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.75
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline 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 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline (CID 28519302) is 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline is Fc1ccc(-c2ccc(CNc3ccccc3Cl)o2)cc1.
What is the InChIKey of 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The InChIKey is HJYBBVHVXAOWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-15-3-1-2-4-16(15)20-11-14-9-10-17(21-14)12-5-7-13(19)8-6-12/h1-10,20H,11H2.
What are the key properties of 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline has a molecular weight of 301.75 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 28519302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).