1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

C24H21N3O3 — CID 155511266

IUPAC1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-27(19-10-3-2-4-11-19)24(30)18-9-5-8-17(15-18)23(29)26-25-20-14-13-16-7-6-12-21(28)22(16)20/h2-12,15,28H,13-14H2,1H3,(H,26,29)/b25-20+
InChIKeyMFFQBAPJSQOVHY-LKUDQCMESA-N
MW399.45 g/mol
LogP3.75
Rot. Bonds4

About 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 155511266) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID155511266
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-27(19-10-3-2-4-11-19)24(30)18-9-5-8-17(15-18)23(29)26-25-20-14-13-16-7-6-12-21(28)22(16)20/h2-12,15,28H,13-14H2,1H3,(H,26,29)/b25-20+
InChIKeyMFFQBAPJSQOVHY-LKUDQCMESA-N
XLogP3.75
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(dimethylamino)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135465938
1-N-butyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155517388
1-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 155520641
1-N-cyclopentyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155528539
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(morpholine-4-carbonyl)benzamide
CID 155528956
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 155544714
3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
CID 155552984
3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
CID 155558109
3-N,3-N-diethyl-1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155568039
N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 155568297
1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155569635
4-(2-Hydroxy-5-methylphenyl)-2-phenyl-1(2H)-phthalazinone
CID 4686009

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 155511266) is 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1)c1ccccc1.
What is the InChIKey of 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is MFFQBAPJSQOVHY-LKUDQCMESA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27(19-10-3-2-4-11-19)24(30)18-9-5-8-17(15-18)23(29)26-25-20-14-13-16-7-6-12-21(28)22(16)20/h2-12,15,28H,13-14H2,1H3,(H,26,29)/b25-20+.
What are the key properties of 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 155511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).