N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide

C21H16ClN3O2 — CID 71816318

IUPACN-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H16ClN3O2/c22-18-7-9-19(10-8-18)23-13-15-1-3-16(4-2-15)14-24-25-21(27)17-5-11-20(26)12-6-17/h1-14,26H,(H,25,27)/b23-13+,24-14+
InChIKeySWKOLDSPNYEBIE-RNIAWFEPSA-N
MW377.83 g/mol
LogP4.56
Rot. Bonds5

About N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 71816318) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID71816318
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H16ClN3O2/c22-18-7-9-19(10-8-18)23-13-15-1-3-16(4-2-15)14-24-25-21(27)17-5-11-20(26)12-6-17/h1-14,26H,(H,25,27)/b23-13+,24-14+
InChIKeySWKOLDSPNYEBIE-RNIAWFEPSA-N
XLogP4.56
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-chloro-N-[1-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4691730
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide (CID 71816318) is N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is SWKOLDSPNYEBIE-RNIAWFEPSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-18-7-9-19(10-8-18)23-13-15-1-3-16(4-2-15)14-24-25-21(27)17-5-11-20(26)12-6-17/h1-14,26H,(H,25,27)/b23-13+,24-14+.
What are the key properties of N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 377.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 71816318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).