N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

C25H20ClN3O2 — CID 2860711

IUPACN-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H20ClN3O2/c26-22-16-14-20(15-17-22)18-27-29-25(31)23(13-7-10-19-8-3-1-4-9-19)28-24(30)21-11-5-2-6-12-21/h1-18H,(H,28,30)(H,29,31)
InChIKeyMGXWQTWUORMQEL-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.82
Rot. Bonds7

About N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 2860711) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID2860711
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC NameN-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H20ClN3O2/c26-22-16-14-20(15-17-22)18-27-29-25(31)23(13-7-10-19-8-3-1-4-9-19)28-24(30)21-11-5-2-6-12-21/h1-18H,(H,28,30)(H,29,31)
InChIKeyMGXWQTWUORMQEL-UHFFFAOYSA-N
XLogP4.82
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-benzylidenehydrazinyl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2858617
N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 3093073
N-[1-oxo-5-phenyl-1-[2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
CID 2861022
N-[(2Z,4E)-1-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135852207
N-[(2Z,4Z)-1-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 129439642
N-[(2Z,4E)-1-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 5342136
N-[(2Z,4E)-1-[2-[(3,5-dibromo-2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 137206929
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033
N-[(Z)-3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 135479837
N-[(E)-3-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137195479
N-[1-[(2E)-2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135822072
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 2860711) is N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is O=C(NN=Cc1ccc(Cl)cc1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is MGXWQTWUORMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-22-16-14-20(15-17-22)18-27-29-25(31)23(13-7-10-19-8-3-1-4-9-19)28-24(30)21-11-5-2-6-12-21/h1-18H,(H,28,30)(H,29,31).
What are the key properties of N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 429.91 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 2860711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).