2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde

C21H18FNO — CID 89323334

IUPAC2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde
SMILESO=Cc1ccc(CCc2ccccc2)cc1Nc1ccccc1F
InChIInChI=1S/C21H18FNO/c22-19-8-4-5-9-20(19)23-21-14-17(12-13-18(21)15-24)11-10-16-6-2-1-3-7-16/h1-9,12-15,23H,10-11H2
InChIKeyAGXVLVRERKZRBR-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.17
Rot. Bonds6

About 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde

2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde (PubChem CID 89323334) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde
PubChem CID89323334
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde
SMILESO=Cc1ccc(CCc2ccccc2)cc1Nc1ccccc1F
InChIInChI=1S/C21H18FNO/c22-19-8-4-5-9-20(19)23-21-14-17(12-13-18(21)15-24)11-10-16-6-2-1-3-7-16/h1-9,12-15,23H,10-11H2
InChIKeyAGXVLVRERKZRBR-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde?
The IUPAC name of 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde (CID 89323334) is 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde.
What is the SMILES notation for 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde?
The canonical SMILES for 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde is O=Cc1ccc(CCc2ccccc2)cc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde?
The InChIKey is AGXVLVRERKZRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-19-8-4-5-9-20(19)23-21-14-17(12-13-18(21)15-24)11-10-16-6-2-1-3-7-16/h1-9,12-15,23H,10-11H2.
What are the key properties of 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde?
2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde has a molecular weight of 319.38 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-4-(2-phenylethyl)benzaldehyde is sourced from PubChem (CID 89323334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).