4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde

C14H11FN2O — CID 89276512

IUPAC4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde
SMILES[H]/N=C/c1cc(C=O)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16/h1-9,16-17H/b16-8+
InChIKeyZNRXPICUBURQPL-LZYBPNLTSA-N
MW242.25 g/mol
LogP3.38
Rot. Bonds4

About 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde

4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde (PubChem CID 89276512) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde.

Molecular Properties

Compound Name4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde
PubChem CID89276512
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde
SMILES[H]/N=C/c1cc(C=O)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16/h1-9,16-17H/b16-8+
InChIKeyZNRXPICUBURQPL-LZYBPNLTSA-N
XLogP3.38
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carboxaldehyde
CID 44366034
Benzaldehyde, 4-(phenylamino)-
CID 2396509
4-Benzylamino-benzaldehyde
CID 11424382
4-(p-Tolylamino)benzaldehyde
CID 53651435
4-(o-Tolylamino)benzaldehyde
CID 88338501
4-[3-(4-Fluorophenyl)propylamino]benzaldehyde
CID 20331121
4-[[(E)-11-(4-fluorophenyl)undec-10-enyl]amino]benzaldehyde
CID 20331237
4-[(4-Fluorophenyl)methylamino]benzaldehyde
CID 20331367
5-formyl-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzonitrile
CID 51034132
4-[11-(4-Fluorophenyl)undec-10-enylamino]benzaldehyde
CID 53956129
1-[2-amino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-7-yl]ethanone
CID 57083460
4-Anilino-2,3,5,6-tetrafluorobenzaldehyde
CID 87575457

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde?
The IUPAC name of 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde (CID 89276512) is 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde.
What is the SMILES notation for 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde?
The canonical SMILES for 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde is [H]/N=C/c1cc(C=O)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde?
The InChIKey is ZNRXPICUBURQPL-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-2-4-13(5-3-12)17-14-6-1-10(9-18)7-11(14)8-16/h1-9,16-17H/b16-8+.
What are the key properties of 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde?
4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde has a molecular weight of 242.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-3-methanimidoylbenzaldehyde is sourced from PubChem (CID 89276512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).