N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide

C14H9Cl2FN2O — CID 6299939

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O/c15-10-6-5-9(12(16)7-10)8-18-19-14(20)11-3-1-2-4-13(11)17/h1-8H,(H,19,20)/b18-8-
InChIKeyBTULPVSHXNXLHZ-LSCVHKIXSA-N
MW311.14 g/mol
LogP3.90
Rot. Bonds3

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 6299939) has the molecular formula C14H9Cl2FN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
PubChem CID6299939
Molecular FormulaC14H9Cl2FN2O
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O/c15-10-6-5-9(12(16)7-10)8-18-19-14(20)11-3-1-2-4-13(11)17/h1-8H,(H,19,20)/b18-8-
InChIKeyBTULPVSHXNXLHZ-LSCVHKIXSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.90
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

2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide (CID 6299939) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1F.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is BTULPVSHXNXLHZ-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O/c15-10-6-5-9(12(16)7-10)8-18-19-14(20)11-3-1-2-4-13(11)17/h1-8H,(H,19,20)/b18-8-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 311.14 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 6299939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).