N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide

C22H19FN2O — CID 827608

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c1-16(17-12-14-20(23)15-13-17)24-25-22(26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,25,26)
InChIKeyVLIDYWTXWVQBOS-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.50
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide

N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide (PubChem CID 827608) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
PubChem CID827608
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c1-16(17-12-14-20(23)15-13-17)24-25-22(26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,25,26)
InChIKeyVLIDYWTXWVQBOS-UHFFFAOYSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[(Z)-1-naphthalen-1-ylethylideneamino]-2,2-diphenylacetamide
CID 126396854
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide
CID 94837920
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2,2-diphenylacetamide
CID 136831660

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide (CID 827608) is N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide is CC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide?
The InChIKey is VLIDYWTXWVQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-16(17-12-14-20(23)15-13-17)24-25-22(26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,25,26).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide?
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide has a molecular weight of 346.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 827608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).