N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide

C11H10ClFN2O — CID 5334886

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H10ClFN2O/c12-9-2-1-3-10(13)8(9)6-14-15-11(16)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)/b14-6+
InChIKeyBLQYVHWXWKICAW-MKMNVTDBSA-N
MW240.66 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5334886) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5334886
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H10ClFN2O/c12-9-2-1-3-10(13)8(9)6-14-15-11(16)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)/b14-6+
InChIKeyBLQYVHWXWKICAW-MKMNVTDBSA-N
XLogP2.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide (CID 5334886) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is BLQYVHWXWKICAW-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-2-1-3-10(13)8(9)6-14-15-11(16)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)/b14-6+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 240.66 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5334886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).