N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C19H21ClN2O3 — CID 133144006

IUPACN-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC
InChIInChI=1S/C19H21ClN2O3/c1-12-5-6-15(13(2)7-12)10-18(23)22-21-11-14-8-16(20)19(25-4)17(9-14)24-3/h5-9,11H,10H2,1-4H3,(H,22,23)/b21-11+
InChIKeyAFZAWODHWMFXKK-SRZZPIQSSA-N
MW360.84 g/mol
LogP3.67
Rot. Bonds6

About N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133144006) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133144006
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC
InChIInChI=1S/C19H21ClN2O3/c1-12-5-6-15(13(2)7-12)10-18(23)22-21-11-14-8-16(20)19(25-4)17(9-14)24-3/h5-9,11H,10H2,1-4H3,(H,22,23)/b21-11+
InChIKeyAFZAWODHWMFXKK-SRZZPIQSSA-N
XLogP3.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
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

N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944656
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133145344
2-(2,4-dimethylphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 133144025
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144017
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316108
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92658024
N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8900582
N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657931

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133144006) is N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC.
What is the InChIKey of N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is AFZAWODHWMFXKK-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-5-6-15(13(2)7-12)10-18(23)22-21-11-14-8-16(20)19(25-4)17(9-14)24-3/h5-9,11H,10H2,1-4H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).