4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide

C23H19FN2O3 — CID 25265745

IUPAC4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NO)cc1)/C(=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H19FN2O3/c24-20-12-8-16(9-13-20)14-21(18-4-2-1-3-5-18)23(28)25-15-17-6-10-19(11-7-17)22(27)26-29/h1-14,29H,15H2,(H,25,28)(H,26,27)/b21-14+
InChIKeyOJFWXEXTODNNGR-KGENOOAVSA-N
MW390.41 g/mol
LogP3.80
Rot. Bonds6

About 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide

4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 25265745) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
PubChem CID25265745
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NO)cc1)/C(=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H19FN2O3/c24-20-12-8-16(9-13-20)14-21(18-4-2-1-3-5-18)23(28)25-15-17-6-10-19(11-7-17)22(27)26-29/h1-14,29H,15H2,(H,25,28)(H,26,27)/b21-14+
InChIKeyOJFWXEXTODNNGR-KGENOOAVSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 25265749
4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 59575500
(2Z)-N-benzyl-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
CID 71455608
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891645
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
CID 71461034
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
4-[[[(E)-3-[4-[(E)-2-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25271482
4-[[[4-[(Z)-3-(cyclopropylamino)-2-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 87568790
N-(2-aminophenyl)-4-[3-(benzylamino)-2-(4-fluorophenyl)-3-oxo-1-tritioprop-1-enyl]benzamide
CID 87445597

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide (CID 25265745) is 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide is O=C(NCc1ccc(C(=O)NO)cc1)/C(=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is OJFWXEXTODNNGR-KGENOOAVSA-N. The full InChI is InChI=1S/C23H19FN2O3/c24-20-12-8-16(9-13-20)14-21(18-4-2-1-3-5-18)23(28)25-15-17-6-10-19(11-7-17)22(27)26-29/h1-14,29H,15H2,(H,25,28)(H,26,27)/b21-14+.
What are the key properties of 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide?
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 390.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 25265745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).