N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C20H22ClN3O — CID 90486781

IUPACN-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCNc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C20H22ClN3O/c1-22-17-10-9-16(19(21)12-17)13-23-24-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h4,6-7,9-10,12-13,22H,2-3,5,8,11H2,1H3,(H,24,25)/b23-13-
InChIKeyAZVRBMCRDKPFKJ-QRVIBDJDSA-N
MW355.87 g/mol
LogP3.95
Rot. Bonds5

About N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 90486781) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID90486781
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCNc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C20H22ClN3O/c1-22-17-10-9-16(19(21)12-17)13-23-24-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h4,6-7,9-10,12-13,22H,2-3,5,8,11H2,1H3,(H,24,25)/b23-13-
InChIKeyAZVRBMCRDKPFKJ-QRVIBDJDSA-N
XLogP3.95
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 90486783
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 5425784
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6887474
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 90486781) is N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CNc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)c(Cl)c1.
What is the InChIKey of N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is AZVRBMCRDKPFKJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-22-17-10-9-16(19(21)12-17)13-23-24-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h4,6-7,9-10,12-13,22H,2-3,5,8,11H2,1H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 355.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-chloro-4-(methylamino)phenyl]methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 90486781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).