(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide

C14H18ClN3O — CID 53483585

IUPAC(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)/C(CC)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-4-10-18(3)14(19)13(5-2)17-16-12-8-6-11(15)7-9-12/h4,6-9,16H,1,5,10H2,2-3H3/b17-13+
InChIKeyBGKQWCQYBNRRHC-GHRIWEEISA-N
MW279.77 g/mol
LogP3.16
Rot. Bonds6

About (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide

(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide (PubChem CID 53483585) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide
PubChem CID53483585
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)/C(CC)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-4-10-18(3)14(19)13(5-2)17-16-12-8-6-11(15)7-9-12/h4,6-9,16H,1,5,10H2,2-3H3/b17-13+
InChIKeyBGKQWCQYBNRRHC-GHRIWEEISA-N
XLogP3.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108507708
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
4-chloro-N-[(E)-1-nitropropylideneamino]aniline
CID 50886820
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
ethyl (1Z)-N-(4-chloroanilino)-2-oxopropanimidothioate
CID 51413538
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide?
The IUPAC name of (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide (CID 53483585) is (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide is C=CCN(C)C(=O)/C(CC)=N/Nc1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide?
The InChIKey is BGKQWCQYBNRRHC-GHRIWEEISA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-10-18(3)14(19)13(5-2)17-16-12-8-6-11(15)7-9-12/h4,6-9,16H,1,5,10H2,2-3H3/b17-13+.
What are the key properties of (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide?
(2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide has a molecular weight of 279.77 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-chlorophenyl)hydrazinylidene]-N-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 53483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).