2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide

C18H20FN3O3 — CID 135884871

IUPAC2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H20FN3O3/c1-2-9-25-16-8-3-13(17(23)10-16)11-21-22-18(24)12-20-15-6-4-14(19)5-7-15/h3-8,10-11,20,23H,2,9,12H2,1H3,(H,22,24)/b21-11-
InChIKeyYRIXYUPFRODBFN-NHDPSOOVSA-N
MW345.37 g/mol
LogP2.88
Rot. Bonds8

About 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 135884871) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
PubChem CID135884871
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H20FN3O3/c1-2-9-25-16-8-3-13(17(23)10-16)11-21-22-18(24)12-20-15-6-4-14(19)5-7-15/h3-8,10-11,20,23H,2,9,12H2,1H3,(H,22,24)/b21-11-
InChIKeyYRIXYUPFRODBFN-NHDPSOOVSA-N
XLogP2.88
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 137022225
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3788023
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 137168688
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207
4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide (CID 135884871) is 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is YRIXYUPFRODBFN-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-2-9-25-16-8-3-13(17(23)10-16)11-21-22-18(24)12-20-15-6-4-14(19)5-7-15/h3-8,10-11,20,23H,2,9,12H2,1H3,(H,22,24)/b21-11-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135884871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).