1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

C22H18N4O4 — CID 136738625

IUPAC1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C22H18N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-14,27-28H,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyZDDPSVMANVUOJJ-GACBQCINSA-N
MW402.41 g/mol
LogP2.63
Rot. Bonds6

About 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 136738625) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID136738625
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C22H18N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-14,27-28H,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyZDDPSVMANVUOJJ-GACBQCINSA-N
XLogP2.63
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Chel 180
CID 135445765
Gsk 4716
CID 5331325
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CID 135778696
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Mls002667267
CID 241689
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
Nsc204792
CID 135459102
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 136738625) is 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is O=C(N/N=C\c1ccccc1O)c1ccc(C(=O)N/N=C\c2ccccc2O)cc1.
What is the InChIKey of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is ZDDPSVMANVUOJJ-GACBQCINSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-19-7-3-1-5-17(19)13-23-25-21(29)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28/h1-14,27-28H,(H,25,29)(H,26,30)/b23-13-,24-14-.
What are the key properties of 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 136738625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).