N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide

C18H12ClFN2O — CID 45109299

IUPACN-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12ClFN2O/c19-16-8-5-12(9-17(16)20)11-21-22-18(23)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H,(H,22,23)/b21-11+
InChIKeyYHPFTWUNYSOSOL-SRZZPIQSSA-N
MW326.76 g/mol
LogP4.40
Rot. Bonds3

About N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide

N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 45109299) has the molecular formula C18H12ClFN2O and a molecular weight of 326.76 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID45109299
Molecular FormulaC18H12ClFN2O
Molecular Weight326.76 g/mol
Exact Mass326.06
IUPAC NameN-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12ClFN2O/c19-16-8-5-12(9-17(16)20)11-21-22-18(23)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H,(H,22,23)/b21-11+
InChIKeyYHPFTWUNYSOSOL-SRZZPIQSSA-N
XLogP4.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.40
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)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide (CID 45109299) is N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccc(Cl)c(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is YHPFTWUNYSOSOL-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H12ClFN2O/c19-16-8-5-12(9-17(16)20)11-21-22-18(23)15-7-6-13-3-1-2-4-14(13)10-15/h1-11H,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide?
N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 326.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 45109299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).