(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide

C15H20ClN3O2 — CID 7224772

IUPAC(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1cccc(Cl)c1C)=N/NC(=O)C(C)C
InChIInChI=1S/C15H20ClN3O2/c1-9(2)15(21)19-18-10(3)8-14(20)17-13-7-5-6-12(16)11(13)4/h5-7,9H,8H2,1-4H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyYQFJELFHNOKNMS-ZDLGFXPLSA-N
MW309.80 g/mol
LogP3.13
Rot. Bonds5

About (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide

(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide (PubChem CID 7224772) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
PubChem CID7224772
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1cccc(Cl)c1C)=N/NC(=O)C(C)C
InChIInChI=1S/C15H20ClN3O2/c1-9(2)15(21)19-18-10(3)8-14(20)17-13-7-5-6-12(16)11(13)4/h5-7,9H,8H2,1-4H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyYQFJELFHNOKNMS-ZDLGFXPLSA-N
XLogP3.13
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.13
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-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-[[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-2-iodobenzamide
CID 3403984
N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
CID 4665636
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-[(E)-[4-(4-carbamoylanilino)-4-oxobutan-2-ylidene]amino]-N-(3-chloro-2-methylphenyl)oxamide
CID 46501220
N-(3-chloro-2-methylphenyl)-N'-[(E)-[4-(2-chloro-5-nitroanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 17385850
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
3-chloro-N-[(Z)-[4-(2,3-dimethylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6281932
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]oxamide
CID 98155827

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide?
The IUPAC name of (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide (CID 7224772) is (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide.
What is the SMILES notation for (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide?
The canonical SMILES for (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide is C/C(CC(=O)Nc1cccc(Cl)c1C)=N/NC(=O)C(C)C.
What is the InChIKey of (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide?
The InChIKey is YQFJELFHNOKNMS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(2)15(21)19-18-10(3)8-14(20)17-13-7-5-6-12(16)11(13)4/h5-7,9H,8H2,1-4H3,(H,17,20)(H,19,21)/b18-10-.
What are the key properties of (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide?
(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide has a molecular weight of 309.80 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide is sourced from PubChem (CID 7224772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).