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

C23H19N3O3 — CID 155552984

IUPAC3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H19N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h1-11,14,27H,12-13H2,(H,24,28)(H,26,29)/b25-19+
InChIKeyLTRRSMRFIGONRZ-NCELDCMTSA-N
MW385.42 g/mol
LogP3.72
Rot. Bonds4

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

3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 155552984) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
PubChem CID155552984
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H19N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h1-11,14,27H,12-13H2,(H,24,28)(H,26,29)/b25-19+
InChIKeyLTRRSMRFIGONRZ-NCELDCMTSA-N
XLogP3.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide (CID 155552984) is 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide is O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is LTRRSMRFIGONRZ-NCELDCMTSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h1-11,14,27H,12-13H2,(H,24,28)(H,26,29)/b25-19+.
What are the key properties of 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 155552984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).