(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide

C23H24FN3O5 — CID 54713695

IUPAC(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C23H24FN3O5/c24-15-7-5-13(6-8-15)9-25-22(30)16-10-26-11-18-27(23(31)19(26)21(29)20(16)28)17-4-2-1-3-14(17)12-32-18/h5-8,10,14,17-18,29H,1-4,9,11-12H2,(H,25,30)/t14-,17-,18+/m0/s1
InChIKeyGUCRZEZFIJSATQ-JCGIZDLHSA-N
MW441.46 g/mol
LogP1.99
Rot. Bonds3

About (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide

(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide (PubChem CID 54713695) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide.

Molecular Properties

Compound Name(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
PubChem CID54713695
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C23H24FN3O5/c24-15-7-5-13(6-8-15)9-25-22(30)16-10-26-11-18-27(23(31)19(26)21(29)20(16)28)17-4-2-1-3-14(17)12-32-18/h5-8,10,14,17-18,29H,1-4,9,11-12H2,(H,25,30)/t14-,17-,18+/m0/s1
InChIKeyGUCRZEZFIJSATQ-JCGIZDLHSA-N
XLogP1.99
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The IUPAC name of (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide (CID 54713695) is (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide.
What is the SMILES notation for (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The canonical SMILES for (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The InChIKey is GUCRZEZFIJSATQ-JCGIZDLHSA-N. The full InChI is InChI=1S/C23H24FN3O5/c24-15-7-5-13(6-8-15)9-25-22(30)16-10-26-11-18-27(23(31)19(26)21(29)20(16)28)17-4-2-1-3-14(17)12-32-18/h5-8,10,14,17-18,29H,1-4,9,11-12H2,(H,25,30)/t14-,17-,18+/m0/s1.
What are the key properties of (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
(2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R,10R)-N-[(4-fluorophenyl)methyl]-16-hydroxy-15,18-dioxo-9-oxa-1,12-diazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide is sourced from PubChem (CID 54713695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).