N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

C24H20FN3O3 — CID 5062055

IUPACN-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESC=C(NNC(=O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H20FN3O3/c1-16(20-9-5-6-10-22(20)29)27-28-24(31)21(15-17-11-13-19(25)14-12-17)26-23(30)18-7-3-2-4-8-18/h2-15,27,29H,1H2,(H,26,30)(H,28,31)
InChIKeyNJOBSZVKOHTFKR-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5062055) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5062055
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESC=C(NNC(=O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H20FN3O3/c1-16(20-9-5-6-10-22(20)29)27-28-24(31)21(15-17-11-13-19(25)14-12-17)26-23(30)18-7-3-2-4-8-18/h2-15,27,29H,1H2,(H,26,30)(H,28,31)
InChIKeyNJOBSZVKOHTFKR-UHFFFAOYSA-N
XLogP3.59
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6260919
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891645
(2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 7453155
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
N-[3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5167576
ethyl 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoate
CID 6509520
N-[(E)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5435556

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide (CID 5062055) is N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is C=C(NNC(=O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1)c1ccccc1O.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is NJOBSZVKOHTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-16(20-9-5-6-10-22(20)29)27-28-24(31)21(15-17-11-13-19(25)14-12-17)26-23(30)18-7-3-2-4-8-18/h2-15,27,29H,1H2,(H,26,30)(H,28,31).
What are the key properties of N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-[2-[1-(2-hydroxyphenyl)ethenyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5062055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).