N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide

C18H13ClFN3O — CID 9236611

IUPACN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
SMILESCc1ccc2cc(/C=N\NC(=O)c3ccccc3F)c(Cl)nc2c1
InChIInChI=1S/C18H13ClFN3O/c1-11-6-7-12-9-13(17(19)22-16(12)8-11)10-21-23-18(24)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,23,24)/b21-10-
InChIKeyIYGBLGOILWHNFV-FBHDLOMBSA-N
MW341.77 g/mol
LogP4.10
Rot. Bonds3

About N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide

N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide (PubChem CID 9236611) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
PubChem CID9236611
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
SMILESCc1ccc2cc(/C=N\NC(=O)c3ccccc3F)c(Cl)nc2c1
InChIInChI=1S/C18H13ClFN3O/c1-11-6-7-12-9-13(17(19)22-16(12)8-11)10-21-23-18(24)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,23,24)/b21-10-
InChIKeyIYGBLGOILWHNFV-FBHDLOMBSA-N
XLogP4.10
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912949
N-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3-nitrobenzamide
CID 1048793
N-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 3624333
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
[(2R)-1-[(2E)-2-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44664586
N'-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 6001803
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
(2S)-N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide chloride
CID 44660832
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126123951

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide (CID 9236611) is N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide is Cc1ccc2cc(/C=N\NC(=O)c3ccccc3F)c(Cl)nc2c1.
What is the InChIKey of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide?
The InChIKey is IYGBLGOILWHNFV-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c1-11-6-7-12-9-13(17(19)22-16(12)8-11)10-21-23-18(24)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,23,24)/b21-10-.
What are the key properties of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide?
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide has a molecular weight of 341.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 9236611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).