(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide

C20H22ClN3O2 — CID 6041509

IUPAC(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c1-14-8-10-17(13-18(14)21)22-20(26)12-15(2)23-24-19(25)11-9-16-6-4-3-5-7-16/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)(H,24,25)/b23-15-
InChIKeyFNTMSQPFZOVWOT-HAHDFKILSA-N
MW371.87 g/mol
LogP4.10
Rot. Bonds7

About (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide

(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide (PubChem CID 6041509) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
PubChem CID6041509
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C20H22ClN3O2/c1-14-8-10-17(13-18(14)21)22-20(26)12-15(2)23-24-19(25)11-9-16-6-4-3-5-7-16/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)(H,24,25)/b23-15-
InChIKeyFNTMSQPFZOVWOT-HAHDFKILSA-N
XLogP4.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.10
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

(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 3498149
(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 7324444
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The IUPAC name of (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide (CID 6041509) is (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide.
What is the SMILES notation for (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The canonical SMILES for (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide is C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N/NC(=O)CCc1ccccc1.
What is the InChIKey of (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The InChIKey is FNTMSQPFZOVWOT-HAHDFKILSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14-8-10-17(13-18(14)21)22-20(26)12-15(2)23-24-19(25)11-9-16-6-4-3-5-7-16/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)(H,24,25)/b23-15-.
What are the key properties of (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide has a molecular weight of 371.87 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide is sourced from PubChem (CID 6041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).