2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C22H19Cl2N3O2 — CID 6112463

IUPAC2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19Cl2N3O2/c23-18-10-11-20(19(24)12-18)25-14-22(28)27-26-13-17-8-4-5-9-21(17)29-15-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,27,28)/b26-13-
InChIKeyAKXBRENUGVKPJE-ZMFRSBBQSA-N
MW428.32 g/mol
LogP5.13
Rot. Bonds8

About 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6112463) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6112463
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19Cl2N3O2/c23-18-10-11-20(19(24)12-18)25-14-22(28)27-26-13-17-8-4-5-9-21(17)29-15-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,27,28)/b26-13-
InChIKeyAKXBRENUGVKPJE-ZMFRSBBQSA-N
XLogP5.13
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.13
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

2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8981080
2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110339607
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126064432

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6112463) is 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is AKXBRENUGVKPJE-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c23-18-10-11-20(19(24)12-18)25-14-22(28)27-26-13-17-8-4-5-9-21(17)29-15-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,27,28)/b26-13-.
What are the key properties of 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 428.32 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6112463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).