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

C17H13ClFNO — CID 28510195

IUPAC4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
SMILESFc1ccc(-c2ccc(CNc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClFNO/c18-13-3-7-15(8-4-13)20-11-16-9-10-17(21-16)12-1-5-14(19)6-2-12/h1-10,20H,11H2
InChIKeyUOKMGQXTYJIWTH-UHFFFAOYSA-N
MW301.75 g/mol
LogP5.35
Rot. Bonds4

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

4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline (PubChem CID 28510195) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
PubChem CID28510195
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
SMILESFc1ccc(-c2ccc(CNc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClFNO/c18-13-3-7-15(8-4-13)20-11-16-9-10-17(21-16)12-1-5-14(19)6-2-12/h1-10,20H,11H2
InChIKeyUOKMGQXTYJIWTH-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline (CID 28510195) is 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline is Fc1ccc(-c2ccc(CNc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
The InChIKey is UOKMGQXTYJIWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-13-3-7-15(8-4-13)20-11-16-9-10-17(21-16)12-1-5-14(19)6-2-12/h1-10,20H,11H2.
What are the key properties of 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline?
4-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 4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 28510195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).