2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide

C19H19Cl2N3O2 — CID 6529588

IUPAC2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-2-15(10-13-6-4-3-5-7-13)23-24-18(25)12-22-19(26)16-9-8-14(20)11-17(16)21/h3-9,11H,2,10,12H2,1H3,(H,22,26)(H,24,25)/b23-15-
InChIKeyYHONHGZEWSSARV-HAHDFKILSA-N
MW392.29 g/mol
LogP3.85
Rot. Bonds7

About 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6529588) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide
PubChem CID6529588
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-2-15(10-13-6-4-3-5-7-13)23-24-18(25)12-22-19(26)16-9-8-14(20)11-17(16)21/h3-9,11H,2,10,12H2,1H3,(H,22,26)(H,24,25)/b23-15-
InChIKeyYHONHGZEWSSARV-HAHDFKILSA-N
XLogP3.85
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.85
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

2,4-dichloro-N'-(1-propyl-4-piperidinylidene)benzohydrazide
CID 839924
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
3-Chloro-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 9637909
2-chloro-N-[2-[(2-chlorobenzoyl)amino]propyl]benzamide
CID 2898745
2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 2303171
2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4846665
3-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
CID 5339481
N-(4-chlorobenzyl)-3-[(phenylacetyl)hydrazono]butanamide
CID 5815208
2,4-dichloro-N-[2-(4-chlorophenyl)-2-(methoxyimino)ethyl]benzenecarboxamide
CID 6066776
2,4-dichloro-N-{2-[(2Z)-2-(1-methylpropylidene)hydrazino]-2-oxoethyl}benzamide
CID 6291935
4-Chloro-N-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide
CID 9596038

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide (CID 6529588) is 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide is CC/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is YHONHGZEWSSARV-HAHDFKILSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-2-15(10-13-6-4-3-5-7-13)23-24-18(25)12-22-19(26)16-9-8-14(20)11-17(16)21/h3-9,11H,2,10,12H2,1H3,(H,22,26)(H,24,25)/b23-15-.
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutan-2-ylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6529588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).