N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C19H18F4N2O3 — CID 5455542

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cc1
InChIInChI=1S/C19H18F4N2O3/c1-27-16-8-4-13(5-9-16)10-24-25-17(26)15-6-2-14(3-7-15)11-28-12-19(22,23)18(20)21/h2-10,18H,11-12H2,1H3,(H,25,26)/b24-10+
InChIKeyFOPWLTXRPLTGAU-YSURURNPSA-N
MW398.36 g/mol
LogP3.88
Rot. Bonds9

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 5455542) has the molecular formula C19H18F4N2O3 and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID5455542
Molecular FormulaC19H18F4N2O3
Molecular Weight398.36 g/mol
Exact Mass398.13
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cc1
InChIInChI=1S/C19H18F4N2O3/c1-27-16-8-4-13(5-9-16)10-24-25-17(26)15-6-2-14(3-7-15)11-28-12-19(22,23)18(20)21/h2-10,18H,11-12H2,1H3,(H,25,26)/b24-10+
InChIKeyFOPWLTXRPLTGAU-YSURURNPSA-N
XLogP3.88
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 5455542) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is COc1ccc(/C=N/NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is FOPWLTXRPLTGAU-YSURURNPSA-N. The full InChI is InChI=1S/C19H18F4N2O3/c1-27-16-8-4-13(5-9-16)10-24-25-17(26)15-6-2-14(3-7-15)11-28-12-19(22,23)18(20)21/h2-10,18H,11-12H2,1H3,(H,25,26)/b24-10+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 398.36 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 5455542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).