4-[(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]-3-fluorobenzamide

C24H18FN3O3 — CID 25217606

IUPAC4-[(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]-3-fluorobenzamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C24H18FN3O3/c1-2-13-5-8-19-17(10-13)20-16-4-3-9-27-23(16)31-24(30)21(20)28(19)12-15-7-6-14(22(26)29)11-18(15)25/h3-11H,2,12H2,1H3,(H2,26,29)
InChIKeyUORHJDDLDBNOJN-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.14
Rot. Bonds4

About 4-[(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]-3-fluorobenzamide

4-[(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]-3-fluorobenzamide (PubChem CID 25217606) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-[(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]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(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]-3-fluorobenzamide
PubChem CID25217606
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name4-[(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]-3-fluorobenzamide
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1ccc(C(N)=O)cc1F
InChIInChI=1S/C24H18FN3O3/c1-2-13-5-8-19-17(10-13)20-16-4-3-9-27-23(16)31-24(30)21(20)28(19)12-15-7-6-14(22(26)29)11-18(15)25/h3-11H,2,12H2,1H3,(H2,26,29)
InChIKeyUORHJDDLDBNOJN-UHFFFAOYSA-N
XLogP4.14
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(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]-3-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(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]-3-fluorobenzamide?
The IUPAC name of 4-[(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]-3-fluorobenzamide (CID 25217606) is 4-[(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]-3-fluorobenzamide.
What is the SMILES notation for 4-[(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]-3-fluorobenzamide?
The canonical SMILES for 4-[(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]-3-fluorobenzamide is CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[(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]-3-fluorobenzamide?
The InChIKey is UORHJDDLDBNOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-2-13-5-8-19-17(10-13)20-16-4-3-9-27-23(16)31-24(30)21(20)28(19)12-15-7-6-14(22(26)29)11-18(15)25/h3-11H,2,12H2,1H3,(H2,26,29).
What are the key properties of 4-[(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]-3-fluorobenzamide?
4-[(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]-3-fluorobenzamide has a molecular weight of 415.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(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]-3-fluorobenzamide is sourced from PubChem (CID 25217606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).