4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide

C23H15F2N3O4 — CID 58240751

IUPAC4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc(C(N)=O)c(O)cc3F)c2cc1F
InChIInChI=1S/C23H15F2N3O4/c1-10-5-13-17(7-15(10)24)28(9-11-6-14(21(26)30)18(29)8-16(11)25)20-19(13)12-3-2-4-27-22(12)32-23(20)31/h2-8,29H,9H2,1H3,(H2,26,30)
InChIKeyLRSBKGNJJREGBK-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.74
Rot. Bonds3

About 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide

4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide (PubChem CID 58240751) has the molecular formula C23H15F2N3O4 and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide
PubChem CID58240751
Molecular FormulaC23H15F2N3O4
Molecular Weight435.39 g/mol
Exact Mass435.10
IUPAC Name4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc(C(N)=O)c(O)cc3F)c2cc1F
InChIInChI=1S/C23H15F2N3O4/c1-10-5-13-17(7-15(10)24)28(9-11-6-14(21(26)30)18(29)8-16(11)25)20-19(13)12-3-2-4-27-22(12)32-23(20)31/h2-8,29H,9H2,1H3,(H2,26,30)
InChIKeyLRSBKGNJJREGBK-UHFFFAOYSA-N
XLogP3.74
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide?
The IUPAC name of 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide (CID 58240751) is 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide is Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3cc(C(N)=O)c(O)cc3F)c2cc1F.
What is the InChIKey of 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide?
The InChIKey is LRSBKGNJJREGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O4/c1-10-5-13-17(7-15(10)24)28(9-11-6-14(21(26)30)18(29)8-16(11)25)20-19(13)12-3-2-4-27-22(12)32-23(20)31/h2-8,29H,9H2,1H3,(H2,26,30).
What are the key properties of 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide?
4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide has a molecular weight of 435.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(14-fluoro-15-methyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 58240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).