(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide

C23H24F3N3O4 — CID 155190201

IUPAC(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
SMILESC=C(F)/C(CNC(=O)c1cn2c(c(O)c1=O)C(=O)N1C[C@@H]3CC[C@@H](C3)[C@@H]2C1)=C(F)\C=C(/C)F
InChIInChI=1S/C23H24F3N3O4/c1-11(24)5-17(26)15(12(2)25)7-27-22(32)16-9-29-18-10-28(8-13-3-4-14(18)6-13)23(33)19(29)21(31)20(16)30/h5,9,13-14,18,31H,2-4,6-8,10H2,1H3,(H,27,32)/b11-5+,17-15+/t13-,14+,18+/m1/s1
InChIKeyUYUFKYUMHJOGSL-JJGKOGEOSA-N
MW463.46 g/mol
LogP3.29
Rot. Bonds5

About (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide

(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide (PubChem CID 155190201) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide.

Molecular Properties

Compound Name(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
PubChem CID155190201
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
SMILESC=C(F)/C(CNC(=O)c1cn2c(c(O)c1=O)C(=O)N1C[C@@H]3CC[C@@H](C3)[C@@H]2C1)=C(F)\C=C(/C)F
InChIInChI=1S/C23H24F3N3O4/c1-11(24)5-17(26)15(12(2)25)7-27-22(32)16-9-29-18-10-28(8-13-3-4-14(18)6-13)23(33)19(29)21(31)20(16)30/h5,9,13-14,18,31H,2-4,6-8,10H2,1H3,(H,27,32)/b11-5+,17-15+/t13-,14+,18+/m1/s1
InChIKeyUYUFKYUMHJOGSL-JJGKOGEOSA-N
XLogP3.29
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide with MolForge

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Related Compounds

(1R,11R,14S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
CID 155145419
(1S,11S,14R)-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
CID 155155413
(1S,13R)-13-(fluoromethyl)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155155448
(1S,11S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6-hydroxy-11-methyl-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 158865909
(1S,12S)-6-hydroxy-12-methoxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155146139
(1R,10S,13S)-13-fluoro-6-hydroxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145624
(6S)-7-ethyl-10-hydroxy-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 138599671
(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxylic acid;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
CID 161247346
(14S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 167295236
(1S,14S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155155251
(1S)-6-hydroxy-5,8-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155146101
(1S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,12-triene-4-carboxamide
CID 155146051

Frequently Asked Questions

What is the IUPAC name of (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide?
The IUPAC name of (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide (CID 155190201) is (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide.
What is the SMILES notation for (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide?
The canonical SMILES for (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide is C=C(F)/C(CNC(=O)c1cn2c(c(O)c1=O)C(=O)N1C[C@@H]3CC[C@@H](C3)[C@@H]2C1)=C(F)\C=C(/C)F.
What is the InChIKey of (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide?
The InChIKey is UYUFKYUMHJOGSL-JJGKOGEOSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-11(24)5-17(26)15(12(2)25)7-27-22(32)16-9-29-18-10-28(8-13-3-4-14(18)6-13)23(33)19(29)21(31)20(16)30/h5,9,13-14,18,31H,2-4,6-8,10H2,1H3,(H,27,32)/b11-5+,17-15+/t13-,14+,18+/m1/s1.
What are the key properties of (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide?
(1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,14S)-N-[(2E,4E)-3,5-difluoro-2-(1-fluoroethenyl)hexa-2,4-dienyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 155190201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).