2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

C19H19Cl2N3O3 — CID 3436532

IUPAC2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-11-4-7-17(27-3)16(8-11)22-18(25)9-12(2)23-24-19(26)14-6-5-13(20)10-15(14)21/h4-8,10H,9H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyVFUPCXGZITYYQT-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.44
Rot. Bonds6

About 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 3436532) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID3436532
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-11-4-7-17(27-3)16(8-11)22-18(25)9-12(2)23-24-19(26)14-6-5-13(20)10-15(14)21/h4-8,10H,9H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyVFUPCXGZITYYQT-UHFFFAOYSA-N
XLogP4.44
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-iodo-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3956236
(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 17384502
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3996338
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-[(E)-[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 17386398
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyphenyl)oxamide
CID 3302269
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47032016
N-[[4-(3-chloroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide
CID 3129922
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 4085069
5-chloro-N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3634372

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide (CID 3436532) is 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide is COc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is VFUPCXGZITYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-11-4-7-17(27-3)16(8-11)22-18(25)9-12(2)23-24-19(26)14-6-5-13(20)10-15(14)21/h4-8,10H,9H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide?
2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 408.29 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 3436532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).