N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C22H19N3O3 — CID 135560243

IUPACN-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-15-4-2-3-5-20(15)22(28)24-18-10-8-17(9-11-18)21(27)25-23-14-16-6-12-19(26)13-7-16/h2-14,26H,1H3,(H,24,28)(H,25,27)/b23-14+
InChIKeyJCSZKIHFZBTDSB-OEAKJJBVSA-N
MW373.41 g/mol
LogP3.72
Rot. Bonds5

About N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 135560243) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID135560243
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-15-4-2-3-5-20(15)22(28)24-18-10-8-17(9-11-18)21(27)25-23-14-16-6-12-19(26)13-7-16/h2-14,26H,1H3,(H,24,28)(H,25,27)/b23-14+
InChIKeyJCSZKIHFZBTDSB-OEAKJJBVSA-N
XLogP3.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Gsk-9089
CID 5497124
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6906421
4-[(4-hydroxyanilino)methyl]-1(2H)-phthalazinone
CID 1482943
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 135560243) is N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is JCSZKIHFZBTDSB-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-4-2-3-5-20(15)22(28)24-18-10-8-17(9-11-18)21(27)25-23-14-16-6-12-19(26)13-7-16/h2-14,26H,1H3,(H,24,28)(H,25,27)/b23-14+.
What are the key properties of N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 135560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).