N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide

C20H16FN3O — CID 91385749

IUPACN-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
SMILESO=C(NN=C(Cc1ccncc1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H16FN3O/c21-18-8-6-16(7-9-18)19(14-15-10-12-22-13-11-15)23-24-20(25)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,25)
InChIKeyUBVLUMMIOGEICP-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.60
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide

N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide (PubChem CID 91385749) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
PubChem CID91385749
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
SMILESO=C(NN=C(Cc1ccncc1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H16FN3O/c21-18-8-6-16(7-9-18)19(14-15-10-12-22-13-11-15)23-24-20(25)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,25)
InChIKeyUBVLUMMIOGEICP-UHFFFAOYSA-N
XLogP3.60
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 27876459
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
CID 6389026
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide (CID 91385749) is N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide is O=C(NN=C(Cc1ccncc1)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide?
The InChIKey is UBVLUMMIOGEICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-18-8-6-16(7-9-18)19(14-15-10-12-22-13-11-15)23-24-20(25)17-4-2-1-3-5-17/h1-13H,14H2,(H,24,25).
What are the key properties of N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide?
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide has a molecular weight of 333.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide is sourced from PubChem (CID 91385749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).