5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide

C24H18FN3O4 — CID 58240742

IUPAC5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(C(N)=O)c(O)cc1F
InChIInChI=1S/C24H18FN3O4/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-23(14)32-24(31)21(20)28(18)11-13-9-16(22(26)30)19(29)10-17(13)25/h3-10,29H,2,11H2,1H3,(H2,26,30)
InChIKeyXAKDXFWUCWNKJW-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.85
Rot. Bonds4

About 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide

5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide (PubChem CID 58240742) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide
PubChem CID58240742
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(C(N)=O)c(O)cc1F
InChIInChI=1S/C24H18FN3O4/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-23(14)32-24(31)21(20)28(18)11-13-9-16(22(26)30)19(29)10-17(13)25/h3-10,29H,2,11H2,1H3,(H2,26,30)
InChIKeyXAKDXFWUCWNKJW-UHFFFAOYSA-N
XLogP3.85
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide (CID 58240742) is 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide is CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(C(N)=O)c(O)cc1F.
What is the InChIKey of 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide?
The InChIKey is XAKDXFWUCWNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c1-2-12-5-6-18-15(8-12)20-14-4-3-7-27-23(14)32-24(31)21(20)28(18)11-13-9-16(22(26)30)19(29)10-17(13)25/h3-10,29H,2,11H2,1H3,(H2,26,30).
What are the key properties of 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide?
5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide has a molecular weight of 431.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(15-ethyl-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]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 58240742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).