N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide

C15H12ClFN2O — CID 4980851

IUPACN-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN=Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10-4-2-3-5-13(10)15(20)19-18-9-11-6-7-12(17)8-14(11)16/h2-9H,1H3,(H,19,20)
InChIKeyCCETXMUJLZVJTN-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.55
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide

N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide (PubChem CID 4980851) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
PubChem CID4980851
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NN=Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10-4-2-3-5-13(10)15(20)19-18-9-11-6-7-12(17)8-14(11)16/h2-9H,1H3,(H,19,20)
InChIKeyCCETXMUJLZVJTN-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
1-[(E)-(2-chloro-4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 90138967
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-2-methylbenzamide
CID 135729378
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide (CID 4980851) is N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)NN=Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is CCETXMUJLZVJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-10-4-2-3-5-13(10)15(20)19-18-9-11-6-7-12(17)8-14(11)16/h2-9H,1H3,(H,19,20).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide?
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 290.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 4980851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).