N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C22H19N3O2 — CID 92657677

IUPACN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-15-7-8-17(16(2)11-15)12-22(26)25-24-14-19-9-10-21(27-19)20-6-4-3-5-18(20)13-23/h3-11,14H,12H2,1-2H3,(H,25,26)/b24-14-
InChIKeyQZWFEXVYNQRWHC-OYKKKHCWSA-N
MW357.41 g/mol
LogP4.13
Rot. Bonds5

About N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 92657677) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID92657677
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-15-7-8-17(16(2)11-15)12-22(26)25-24-14-19-9-10-21(27-19)20-6-4-3-5-18(20)13-23/h3-11,14H,12H2,1-2H3,(H,25,26)/b24-14-
InChIKeyQZWFEXVYNQRWHC-OYKKKHCWSA-N
XLogP4.13
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.13
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-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657688
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657666
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657665
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143767
2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 41300970
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395934
2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
CID 19060025
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 92657677) is N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(C)c1.
What is the InChIKey of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is QZWFEXVYNQRWHC-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-7-8-17(16(2)11-15)12-22(26)25-24-14-19-9-10-21(27-19)20-6-4-3-5-18(20)13-23/h3-11,14H,12H2,1-2H3,(H,25,26)/b24-14-.
What are the key properties of N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 92657677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).