N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide

C19H20FN3O3 — CID 135735292

IUPACN-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C1\C[C@H](C)c2c(F)ccc(O)c21
InChIInChI=1S/C19H20FN3O3/c1-11-9-14(19-15(24)8-7-12(20)18(11)19)22-23-17(25)10-21-13-5-3-4-6-16(13)26-2/h3-8,11,21,24H,9-10H2,1-2H3,(H,23,25)/b22-14+/t11-/m0/s1
InChIKeyPZBWYBVRDXERDH-MAMUZICDSA-N
MW357.39 g/mol
LogP2.98
Rot. Bonds5

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

N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide (PubChem CID 135735292) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide
PubChem CID135735292
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C1\C[C@H](C)c2c(F)ccc(O)c21
InChIInChI=1S/C19H20FN3O3/c1-11-9-14(19-15(24)8-7-12(20)18(11)19)22-23-17(25)10-21-13-5-3-4-6-16(13)26-2/h3-8,11,21,24H,9-10H2,1-2H3,(H,23,25)/b22-14+/t11-/m0/s1
InChIKeyPZBWYBVRDXERDH-MAMUZICDSA-N
XLogP2.98
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-fluoro-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
CID 135836849
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 135836861
2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7393779
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 11935372
2-(2-fluoroanilino)-1-(2-methoxyphenyl)ethanone
CID 94272670
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide
CID 119382687

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide (CID 135735292) is N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C1\C[C@H](C)c2c(F)ccc(O)c21.
What is the InChIKey of N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide?
The InChIKey is PZBWYBVRDXERDH-MAMUZICDSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11-9-14(19-15(24)8-7-12(20)18(11)19)22-23-17(25)10-21-13-5-3-4-6-16(13)26-2/h3-8,11,21,24H,9-10H2,1-2H3,(H,23,25)/b22-14+/t11-/m0/s1.
What are the key properties of N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide?
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide has a molecular weight of 357.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 135735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).