4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide

C23H22ClN3O3 — CID 11048133

IUPAC4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C23H22ClN3O3/c1-3-27(4-2)23(30)19-11-9-16(17-7-5-6-8-18(17)19)14-25-26-22(29)15-10-12-21(28)20(24)13-15/h5-14,28H,3-4H2,1-2H3,(H,26,29)/b25-14+
InChIKeyDZKZGZRXLFKFRG-AFUMVMLFSA-N
MW423.90 g/mol
LogP4.44
Rot. Bonds6

About 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide

4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide (PubChem CID 11048133) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide
PubChem CID11048133
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C23H22ClN3O3/c1-3-27(4-2)23(30)19-11-9-16(17-7-5-6-8-18(17)19)14-25-26-22(29)15-10-12-21(28)20(24)13-15/h5-14,28H,3-4H2,1-2H3,(H,26,29)/b25-14+
InChIKeyDZKZGZRXLFKFRG-AFUMVMLFSA-N
XLogP4.44
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide?
The IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide (CID 11048133) is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide?
The canonical SMILES for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide is CCN(CC)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide?
The InChIKey is DZKZGZRXLFKFRG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-3-27(4-2)23(30)19-11-9-16(17-7-5-6-8-18(17)19)14-25-26-22(29)15-10-12-21(28)20(24)13-15/h5-14,28H,3-4H2,1-2H3,(H,26,29)/b25-14+.
What are the key properties of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide?
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N,N-diethylnaphthalene-1-carboxamide is sourced from PubChem (CID 11048133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).