6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

C21H20F4N2O3 — CID 59475050

IUPAC6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)/C(=C/c1c(F)cc(F)cc1F)c1ccc(F)cc1)NO
InChIInChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+
InChIKeyNDVGLZIKCDJIEM-FOWTUZBSSA-N
MW424.39 g/mol
LogP3.97
Rot. Bonds9

About 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (PubChem CID 59475050) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
PubChem CID59475050
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)/C(=C/c1c(F)cc(F)cc1F)c1ccc(F)cc1)NO
InChIInChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+
InChIKeyNDVGLZIKCDJIEM-FOWTUZBSSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (CID 59475050) is 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is O=C(CCCCCNC(=O)/C(=C/c1c(F)cc(F)cc1F)c1ccc(F)cc1)NO.
What is the InChIKey of 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The InChIKey is NDVGLZIKCDJIEM-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+.
What are the key properties of 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide has a molecular weight of 424.39 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-2-(4-fluorophenyl)-3-(2,4,6-trifluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 59475050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).