2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one

C17H12FNO2 — CID 135447019

IUPAC2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/Cc2ccc(F)cc2)=C(O)c2ccccc21
InChIInChI=1S/C17H12FNO2/c18-12-7-5-11(6-8-12)9-19-10-15-16(20)13-3-1-2-4-14(13)17(15)21/h1-8,10,20H,9H2/b19-10+
InChIKeyNUGMTKKFAJDFJC-VXLYETTFSA-N
MW281.29 g/mol
LogP3.56
Rot. Bonds3

About 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one

2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one (PubChem CID 135447019) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one
PubChem CID135447019
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/Cc2ccc(F)cc2)=C(O)c2ccccc21
InChIInChI=1S/C17H12FNO2/c18-12-7-5-11(6-8-12)9-19-10-15-16(20)13-3-1-2-4-14(13)17(15)21/h1-8,10,20H,9H2/b19-10+
InChIKeyNUGMTKKFAJDFJC-VXLYETTFSA-N
XLogP3.56
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one 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

4-[[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]methyl]benzoic acid
CID 135441636
3-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]propanoic acid
CID 135516249
3-hydroxy-2-(2-methoxyethyliminomethyl)inden-1-one
CID 135486242
(3E)-1-benzyl-3-[(1-hydroxy-3-oxoinden-2-yl)methylidene]thiourea
CID 135442840
3-hydroxy-2-[(4-nitrophenyl)iminomethyl]inden-1-one
CID 135403431
2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]indene-1,3-dione
CID 7342721
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 135427639
1-N,3-N-bis[(4-fluorophenyl)methyl]isoindole-1,3-diimine
CID 135575783
5-(benzyliminomethyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 1380836
2-[[(1S)-1-(1-adamantyl)ethyl]iminomethyl]-3-hydroxyinden-1-one
CID 136780704
3-hydroxy-2-[(2-methylquinolin-4-yl)iminomethyl]inden-1-one
CID 135457763
2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135432540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one (CID 135447019) is 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one is O=C1C(/C=N/Cc2ccc(F)cc2)=C(O)c2ccccc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one?
The InChIKey is NUGMTKKFAJDFJC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-12-7-5-11(6-8-12)9-19-10-15-16(20)13-3-1-2-4-14(13)17(15)21/h1-8,10,20H,9H2/b19-10+.
What are the key properties of 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one?
2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one has a molecular weight of 281.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyliminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135447019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).