3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide

C23H18ClN3O3 — CID 155558109

IUPAC3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H18ClN3O3/c24-18-10-12-20(28)21-17(18)9-11-19(21)26-27-23(30)15-6-4-5-14(13-15)22(29)25-16-7-2-1-3-8-16/h1-8,10,12-13,28H,9,11H2,(H,25,29)(H,27,30)/b26-19+
InChIKeySOBDVLDCDDAMEN-LGUFXXKBSA-N
MW419.87 g/mol
LogP4.38
Rot. Bonds4

About 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide

3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 155558109) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
PubChem CID155558109
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H18ClN3O3/c24-18-10-12-20(28)21-17(18)9-11-19(21)26-27-23(30)15-6-4-5-14(13-15)22(29)25-16-7-2-1-3-8-16/h1-8,10,12-13,28H,9,11H2,(H,25,29)(H,27,30)/b26-19+
InChIKeySOBDVLDCDDAMEN-LGUFXXKBSA-N
XLogP4.38
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.38
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'}

Analyze 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide (CID 155558109) is 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide is O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is SOBDVLDCDDAMEN-LGUFXXKBSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-18-10-12-20(28)21-17(18)9-11-19(21)26-27-23(30)15-6-4-5-14(13-15)22(29)25-16-7-2-1-3-8-16/h1-8,10,12-13,28H,9,11H2,(H,25,29)(H,27,30)/b26-19+.
What are the key properties of 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide?
3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 419.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 155558109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).