2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C18H13F2NO2 — CID 135495299

IUPAC2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\Cc1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H13F2NO2/c1-10(21-9-11-6-7-12(19)8-15(11)20)16-17(22)13-4-2-3-5-14(13)18(16)23/h2-8,22H,9H2,1H3/b21-10+
InChIKeyFICUUHVQFJTDMF-UFFVCSGVSA-N
MW313.30 g/mol
LogP4.09
Rot. Bonds3

About 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135495299) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135495299
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Name2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\Cc1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H13F2NO2/c1-10(21-9-11-6-7-12(19)8-15(11)20)16-17(22)13-4-2-3-5-14(13)18(16)23/h2-8,22H,9H2,1H3/b21-10+
InChIKeyFICUUHVQFJTDMF-UFFVCSGVSA-N
XLogP4.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.09
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-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-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

2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135441617
N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
CID 137318007
N-[(2,4-difluorophenyl)methyl]methanimine
CID 123291562
3-hydroxy-2-[C-methyl-N-(2-phenylsulfanylphenyl)carbonimidoyl]inden-1-one
CID 135537857
2-[N-(4-chloro-2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135438310
N-[(4-chlorophenyl)methyl]-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
CID 135418984
trans-(1R,2R)-N-[(E)-1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135849103
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
N-[(2,4-difluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632808
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135495299) is 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is C/C(=N\Cc1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is FICUUHVQFJTDMF-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H13F2NO2/c1-10(21-9-11-6-7-12(19)8-15(11)20)16-17(22)13-4-2-3-5-14(13)18(16)23/h2-8,22H,9H2,1H3/b21-10+.
What are the key properties of 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 313.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2,4-difluorophenyl)methyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135495299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).