(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

C14H18ClN3O4 — CID 17384502

IUPAC(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCOCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClN3O4/c1-9(17-18-14(20)8-21-2)6-13(19)16-11-7-10(15)4-5-12(11)22-3/h4-5,7H,6,8H2,1-3H3,(H,16,19)(H,18,20)/b17-9+
InChIKeyZURQQMSICWVHDT-RQZCQDPDSA-N
MW327.77 g/mol
LogP1.82
Rot. Bonds7

About (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (PubChem CID 17384502) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
PubChem CID17384502
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Name(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCOCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClN3O4/c1-9(17-18-14(20)8-21-2)6-13(19)16-11-7-10(15)4-5-12(11)22-3/h4-5,7H,6,8H2,1-3H3,(H,16,19)(H,18,20)/b17-9+
InChIKeyZURQQMSICWVHDT-RQZCQDPDSA-N
XLogP1.82
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyphenyl)oxamide
CID 3302269
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 4085069
2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3436532
N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3996338
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-methoxyacetamide
CID 100616707
(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 6016537
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6029887
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (CID 17384502) is (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is COCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The InChIKey is ZURQQMSICWVHDT-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-9(17-18-14(20)8-21-2)6-13(19)16-11-7-10(15)4-5-12(11)22-3/h4-5,7H,6,8H2,1-3H3,(H,16,19)(H,18,20)/b17-9+.
What are the key properties of (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide has a molecular weight of 327.77 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 17384502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).