2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

C18H20ClN3O3 — CID 6110623

IUPAC2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CNc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-12-8-14(19)5-6-15(12)20-11-18(23)22-21-10-13-4-7-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23)/b21-10-
InChIKeyDEYITOFKDVXYSC-FBHDLOMBSA-N
MW361.83 g/mol
LogP3.23
Rot. Bonds7

About 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6110623) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID6110623
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CNc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-12-8-14(19)5-6-15(12)20-11-18(23)22-21-10-13-4-7-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23)/b21-10-
InChIKeyDEYITOFKDVXYSC-FBHDLOMBSA-N
XLogP3.23
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.23
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

2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 4629127
2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 770382
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 136861867
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662908
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 6110623) is 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)CNc2ccc(Cl)cc2C)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DEYITOFKDVXYSC-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-8-14(19)5-6-15(12)20-11-18(23)22-21-10-13-4-7-16(24-2)17(9-13)25-3/h4-10,20H,11H2,1-3H3,(H,22,23)/b21-10-.
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 361.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6110623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).