3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide

C17H12F2N2O3 — CID 73035779

IUPAC3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cn1)NO
InChIInChI=1S/C17H12F2N2O3/c18-14-6-3-12(9-15(14)19)16(22)7-2-11-1-4-13(20-10-11)5-8-17(23)21-24/h1-10,24H,(H,21,23)
InChIKeyCIRJSIKYRJLIET-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.77
Rot. Bonds5

About 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide

3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 73035779) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID73035779
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cn1)NO
InChIInChI=1S/C17H12F2N2O3/c18-14-6-3-12(9-15(14)19)16(22)7-2-11-1-4-13(20-10-11)5-8-17(23)21-24/h1-10,24H,(H,21,23)
InChIKeyCIRJSIKYRJLIET-UHFFFAOYSA-N
XLogP2.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[4-[(E)-3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 9035743
3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11659345
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 75849622
(E)-N-cyclopropyl-2-(3,4-difluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267666
(E)-3-(3-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 8826736
3-(3,4-difluorophenyl)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 75891151
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
(E)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 11393377
(E)-1-(3,4-difluorophenyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 8826795
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide (CID 73035779) is 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cn1)NO.
What is the InChIKey of 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is CIRJSIKYRJLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-14-6-3-12(9-15(14)19)16(22)7-2-11-1-4-13(20-10-11)5-8-17(23)21-24/h1-10,24H,(H,21,23).
What are the key properties of 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 330.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 73035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).