N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide

C18H19ClFN3O3S — CID 92661070

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(C)c1N(CC(=O)N/N=C\c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H19ClFN3O3S/c1-12-6-4-7-13(2)18(12)23(27(3,25)26)11-17(24)22-21-10-14-15(19)8-5-9-16(14)20/h4-10H,11H2,1-3H3,(H,22,24)/b21-10-
InChIKeyRPOKEWBJYZBMAM-FBHDLOMBSA-N
MW411.89 g/mol
LogP3.01
Rot. Bonds6

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 92661070) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID92661070
Molecular FormulaC18H19ClFN3O3S
Molecular Weight411.89 g/mol
Exact Mass411.08
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(C)c1N(CC(=O)N/N=C\c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H19ClFN3O3S/c1-12-6-4-7-13(2)18(12)23(27(3,25)26)11-17(24)22-21-10-14-15(19)8-5-9-16(14)20/h4-10H,11H2,1-3H3,(H,22,24)/b21-10-
InChIKeyRPOKEWBJYZBMAM-FBHDLOMBSA-N
XLogP3.01
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.01
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

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 5349202
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033275
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 4664994
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117840
N-[(Z)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 94831408
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 92661069
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 3128299
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43879146
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 94837694

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide (CID 92661070) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(C)c1N(CC(=O)N/N=C\c1c(F)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RPOKEWBJYZBMAM-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c1-12-6-4-7-13(2)18(12)23(27(3,25)26)11-17(24)22-21-10-14-15(19)8-5-9-16(14)20/h4-10H,11H2,1-3H3,(H,22,24)/b21-10-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 92661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).