(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide

C15H14F2N2O3 — CID 87266057

IUPAC(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn1CCOc1cccc(F)c1F)NO
InChIInChI=1S/C15H14F2N2O3/c16-12-4-1-5-13(15(12)17)22-10-9-19-8-2-3-11(19)6-7-14(20)18-21/h1-8,21H,9-10H2,(H,18,20)/b7-6+
InChIKeyLCMYVLSPLPOZOS-VOTSOKGWSA-N
MW308.28 g/mol
LogP2.36
Rot. Bonds6

About (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide (PubChem CID 87266057) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide
PubChem CID87266057
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn1CCOc1cccc(F)c1F)NO
InChIInChI=1S/C15H14F2N2O3/c16-12-4-1-5-13(15(12)17)22-10-9-19-8-2-3-11(19)6-7-14(20)18-21/h1-8,21H,9-10H2,(H,18,20)/b7-6+
InChIKeyLCMYVLSPLPOZOS-VOTSOKGWSA-N
XLogP2.36
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide (CID 87266057) is (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccn1CCOc1cccc(F)c1F)NO.
What is the InChIKey of (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide?
The InChIKey is LCMYVLSPLPOZOS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-12-4-1-5-13(15(12)17)22-10-9-19-8-2-3-11(19)6-7-14(20)18-21/h1-8,21H,9-10H2,(H,18,20)/b7-6+.
What are the key properties of (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide has a molecular weight of 308.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(2,3-difluorophenoxy)ethyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87266057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).