4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide

C22H24ClN3O2 — CID 4653495

IUPAC4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c1-16(2)15-20(25-21(27)18-10-12-19(23)13-11-18)22(28)26-24-14-6-9-17-7-4-3-5-8-17/h3-14,16,20H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDGPYMKXMSYHFDC-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.30
Rot. Bonds8

About 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 4653495) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID4653495
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c1-16(2)15-20(25-21(27)18-10-12-19(23)13-11-18)22(28)26-24-14-6-9-17-7-4-3-5-8-17/h3-14,16,20H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDGPYMKXMSYHFDC-UHFFFAOYSA-N
XLogP4.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.30
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

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4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide
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N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
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4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
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4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
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N-[1-(2-cinnamylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
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4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
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benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
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4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[1-[2-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
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4-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4261925
4-chloro-N-[1-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4314856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide (CID 4653495) is 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=CC=Cc1ccccc1.
What is the InChIKey of 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is DGPYMKXMSYHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16(2)15-20(25-21(27)18-10-12-19(23)13-11-18)22(28)26-24-14-6-9-17-7-4-3-5-8-17/h3-14,16,20H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 4653495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).