2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide

C18H20FN3O2 — CID 6370873

IUPAC2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-13(11-14-3-9-17(24-2)10-4-14)21-22-18(23)12-20-16-7-5-15(19)6-8-16/h3-10,20H,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyRAQIIZHDFSKLPY-BKUYFWCQSA-N
MW329.38 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide (PubChem CID 6370873) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
PubChem CID6370873
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-13(11-14-3-9-17(24-2)10-4-14)21-22-18(23)12-20-16-7-5-15(19)6-8-16/h3-10,20H,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyRAQIIZHDFSKLPY-BKUYFWCQSA-N
XLogP2.98
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.98
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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Related Compounds

2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
CID 6025913
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416891
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide (CID 6370873) is 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide is COc1ccc(C/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide?
The InChIKey is RAQIIZHDFSKLPY-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13(11-14-3-9-17(24-2)10-4-14)21-22-18(23)12-20-16-7-5-15(19)6-8-16/h3-10,20H,11-12H2,1-2H3,(H,22,23)/b21-13-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide is sourced from PubChem (CID 6370873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).