2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide

C23H20ClN3O2 — CID 27876476

IUPAC2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
SMILESO=C(Cc1ccccc1)N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c24-20-14-8-7-13-19(20)23(29)25-16-21(18-11-5-2-6-12-18)26-27-22(28)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-21-
InChIKeyAKTDZKTXVIZVBM-QLYXXIJNSA-N
MW405.89 g/mol
LogP3.83
Rot. Bonds7

About 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide

2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide (PubChem CID 27876476) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
PubChem CID27876476
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
SMILESO=C(Cc1ccccc1)N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClN3O2/c24-20-14-8-7-13-19(20)23(29)25-16-21(18-11-5-2-6-12-18)26-27-22(28)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-21-
InChIKeyAKTDZKTXVIZVBM-QLYXXIJNSA-N
XLogP3.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
CID 18795136
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 16761074
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
(4E)-4-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 46496056
N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 27876459
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide (CID 27876476) is 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide is O=C(Cc1ccccc1)N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide?
The InChIKey is AKTDZKTXVIZVBM-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-20-14-8-7-13-19(20)23(29)25-16-21(18-11-5-2-6-12-18)26-27-22(28)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-21-.
What are the key properties of 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide?
2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide is sourced from PubChem (CID 27876476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).