4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

C20H21ClN2O3 — CID 118729961

IUPAC4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
SMILESCc1c2c(n3c1CCOc1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C20H21ClN2O3/c1-10-13-4-5-26-17-6-11(19(22)25)12(21)7-14(17)23(13)15-8-20(2,3)9-16(24)18(10)15/h6-7H,4-5,8-9H2,1-3H3,(H2,22,25)
InChIKeyOAURDSXLNBKZDU-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.63
Rot. Bonds1

About 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide (PubChem CID 118729961) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide.

Molecular Properties

Compound Name4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
PubChem CID118729961
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
SMILESCc1c2c(n3c1CCOc1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C20H21ClN2O3/c1-10-13-4-5-26-17-6-11(19(22)25)12(21)7-14(17)23(13)15-8-20(2,3)9-16(24)18(10)15/h6-7H,4-5,8-9H2,1-3H3,(H2,22,25)
InChIKeyOAURDSXLNBKZDU-UHFFFAOYSA-N
XLogP3.63
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The IUPAC name of 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide (CID 118729961) is 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide.
What is the SMILES notation for 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The canonical SMILES for 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide is Cc1c2c(n3c1CCOc1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O.
What is the InChIKey of 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The InChIKey is OAURDSXLNBKZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-10-13-4-5-26-17-6-11(19(22)25)12(21)7-14(17)23(13)15-8-20(2,3)9-16(24)18(10)15/h6-7H,4-5,8-9H2,1-3H3,(H2,22,25).
What are the key properties of 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide is sourced from PubChem (CID 118729961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).