(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

C19H17F2N3O3 — CID 75529079

IUPAC(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C19H17F2N3O3/c20-13-3-5-15(6-4-13)22-18(25)23-8-7-16-11-27-19(26)24(16)17-9-14(21)2-1-12(17)10-23/h1-6,9,16H,7-8,10-11H2,(H,22,25)/t16-/m0/s1
InChIKeyUGPUMRAZNSEAHK-INIZCTEOSA-N
MW373.36 g/mol
LogP3.73
Rot. Bonds1

About (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide

(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (PubChem CID 75529079) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.

Molecular Properties

Compound Name(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
PubChem CID75529079
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C19H17F2N3O3/c20-13-3-5-15(6-4-13)22-18(25)23-8-7-16-11-27-19(26)24(16)17-9-14(21)2-1-12(17)10-23/h1-6,9,16H,7-8,10-11H2,(H,22,25)/t16-/m0/s1
InChIKeyUGPUMRAZNSEAHK-INIZCTEOSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The IUPAC name of (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide (CID 75529079) is (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide.
What is the SMILES notation for (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The canonical SMILES for (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is O=C(Nc1ccc(F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1.
What is the InChIKey of (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
The InChIKey is UGPUMRAZNSEAHK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c20-13-3-5-15(6-4-13)22-18(25)23-8-7-16-11-27-19(26)24(16)17-9-14(21)2-1-12(17)10-23/h1-6,9,16H,7-8,10-11H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide?
(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide is sourced from PubChem (CID 75529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).