N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide

C23H15ClFN5O2 — CID 66638011

IUPACN-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NN=Cc1cccc(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C23H15ClFN5O2/c24-15-8-9-18(29-23(32)21-13-26-19-6-1-2-7-20(19)28-21)17(11-15)22(31)30-27-12-14-4-3-5-16(25)10-14/h1-13H,(H,29,32)(H,30,31)
InChIKeyRLRXDQPJYMWYCZ-UHFFFAOYSA-N
MW447.86 g/mol
LogP4.44
Rot. Bonds5

About N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide

N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide (PubChem CID 66638011) has the molecular formula C23H15ClFN5O2 and a molecular weight of 447.86 g/mol. Its IUPAC name is N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide
PubChem CID66638011
Molecular FormulaC23H15ClFN5O2
Molecular Weight447.86 g/mol
Exact Mass447.09
IUPAC NameN-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NN=Cc1cccc(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C23H15ClFN5O2/c24-15-8-9-18(29-23(32)21-13-26-19-6-1-2-7-20(19)28-21)17(11-15)22(31)30-27-12-14-4-3-5-16(25)10-14/h1-13H,(H,29,32)(H,30,31)
InChIKeyRLRXDQPJYMWYCZ-UHFFFAOYSA-N
XLogP4.44
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-chloro-2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107976
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
5-chloro-2-[[3-[[3-[[3-[[4-chloro-2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]carbamoyl]phenyl]methyl-methylamino]propyl-methylamino]methyl]benzoyl]amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107569
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107653
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
CID 55468262
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4670747
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide (CID 66638011) is N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)NN=Cc1cccc(F)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide?
The InChIKey is RLRXDQPJYMWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O2/c24-15-8-9-18(29-23(32)21-13-26-19-6-1-2-7-20(19)28-21)17(11-15)22(31)30-27-12-14-4-3-5-16(25)10-14/h1-13H,(H,29,32)(H,30,31).
What are the key properties of N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide?
N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide has a molecular weight of 447.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 66638011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).