(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

C25H21N3O4 — CID 6024801

IUPAC(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H21N3O4/c1-31-20-13-11-18(12-14-20)23(29)27-28-25-21(15-19-9-5-6-10-22(19)32-25)24(30)26-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,26,30)(H,27,29)/b28-25-
InChIKeyQHIMKUBPMZTXEG-FVDSYPCUSA-N
MW427.46 g/mol
LogP3.62
Rot. Bonds6

About (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide

(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 6024801) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID6024801
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H21N3O4/c1-31-20-13-11-18(12-14-20)23(29)27-28-25-21(15-19-9-5-6-10-22(19)32-25)24(30)26-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,26,30)(H,27,29)/b28-25-
InChIKeyQHIMKUBPMZTXEG-FVDSYPCUSA-N
XLogP3.62
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 6024801) is (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is COc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is QHIMKUBPMZTXEG-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-20-13-11-18(12-14-20)23(29)27-28-25-21(15-19-9-5-6-10-22(19)32-25)24(30)26-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,26,30)(H,27,29)/b28-25-.
What are the key properties of (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 6024801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).