2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide

C17H14F2N2O2 — CID 135836849

IUPAC2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
SMILESC[C@@H]1C/C(=N\NC(=O)c2ccccc2F)c2c(O)ccc(F)c21
InChIInChI=1S/C17H14F2N2O2/c1-9-8-13(16-14(22)7-6-12(19)15(9)16)20-21-17(23)10-4-2-3-5-11(10)18/h2-7,9,22H,8H2,1H3,(H,21,23)/b20-13+/t9-/m1/s1
InChIKeySDTFVHJTTVRHSZ-FLNUOUKISA-N
MW316.31 g/mol
LogP3.31
Rot. Bonds2

About 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide

2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide (PubChem CID 135836849) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
PubChem CID135836849
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
SMILESC[C@@H]1C/C(=N\NC(=O)c2ccccc2F)c2c(O)ccc(F)c21
InChIInChI=1S/C17H14F2N2O2/c1-9-8-13(16-14(22)7-6-12(19)15(9)16)20-21-17(23)10-4-2-3-5-11(10)18/h2-7,9,22H,8H2,1H3,(H,21,23)/b20-13+/t9-/m1/s1
InChIKeySDTFVHJTTVRHSZ-FLNUOUKISA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide 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

N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]pyridine-2-carboxamide
CID 135836750
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 135836861
N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]furan-2-carboxamide
CID 135836970
4-amino-N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
CID 135735284
N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 135836843
3-ethyl-N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 135836981
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide
CID 135735292
(2R)-N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(4-fluorophenoxy)propanamide
CID 135776559
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]acetamide
CID 135776816
(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
CID 135836986
2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 7529998
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-fluorobenzamide
CID 9235678

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide (CID 135836849) is 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide is C[C@@H]1C/C(=N\NC(=O)c2ccccc2F)c2c(O)ccc(F)c21.
What is the InChIKey of 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide?
The InChIKey is SDTFVHJTTVRHSZ-FLNUOUKISA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-9-8-13(16-14(22)7-6-12(19)15(9)16)20-21-17(23)10-4-2-3-5-11(10)18/h2-7,9,22H,8H2,1H3,(H,21,23)/b20-13+/t9-/m1/s1.
What are the key properties of 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide?
2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide has a molecular weight of 316.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide is sourced from PubChem (CID 135836849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).