N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide

C18H20FN3O — CID 6898898

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+
InChIKeyZWJZPXAOAGELNJ-DEDYPNTBSA-N
MW313.38 g/mol
LogP3.44
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide (PubChem CID 6898898) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide
PubChem CID6898898
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+
InChIKeyZWJZPXAOAGELNJ-DEDYPNTBSA-N
XLogP3.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide (CID 6898898) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide?
The InChIKey is ZWJZPXAOAGELNJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide has a molecular weight of 313.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6898898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).