N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide

C18H20FN3O — CID 5416891

IUPACN-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCCc1ccc(/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-3-14-4-6-15(7-5-14)13(2)21-22-18(23)12-20-17-10-8-16(19)9-11-17/h4-11,20H,3,12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyNRXCGUCXQIDICX-BKUYFWCQSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds6

About N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 5416891) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID5416891
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCCc1ccc(/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O/c1-3-14-4-6-15(7-5-14)13(2)21-22-18(23)12-20-17-10-8-16(19)9-11-17/h4-11,20H,3,12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyNRXCGUCXQIDICX-BKUYFWCQSA-N
XLogP3.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide (CID 5416891) is N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide is CCc1ccc(/C(C)=N\NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is NRXCGUCXQIDICX-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-14-4-6-15(7-5-14)13(2)21-22-18(23)12-20-17-10-8-16(19)9-11-17/h4-11,20H,3,12H2,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 5416891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).