N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide

C19H20FN3O3 — CID 94833202

IUPACN-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3O3/c1-13(2)19(25)23-21-11-14-3-9-17(10-4-14)26-12-18(24)22-16-7-5-15(20)6-8-16/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/b21-11+
InChIKeyFDUGZUSJEKOIDB-SRZZPIQSSA-N
MW357.39 g/mol
LogP2.95
Rot. Bonds7

About N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide

N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide (PubChem CID 94833202) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
PubChem CID94833202
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3O3/c1-13(2)19(25)23-21-11-14-3-9-17(10-4-14)26-12-18(24)22-16-7-5-15(20)6-8-16/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/b21-11+
InChIKeyFDUGZUSJEKOIDB-SRZZPIQSSA-N
XLogP2.95
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide (CID 94833202) is N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide is CC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide?
The InChIKey is FDUGZUSJEKOIDB-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-13(2)19(25)23-21-11-14-3-9-17(10-4-14)26-12-18(24)22-16-7-5-15(20)6-8-16/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/b21-11+.
What are the key properties of N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide?
N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide has a molecular weight of 357.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 94833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).