N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide

C20H18F3N3O2 — CID 21114363

IUPACN-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide
SMILESCOc1ccc2c(n1)c(CCNC(C)=O)c1n2Cc2cc(C(F)(F)F)ccc2-1
InChIInChI=1S/C20H18F3N3O2/c1-11(27)24-8-7-15-18-16(5-6-17(25-18)28-2)26-10-12-9-13(20(21,22)23)3-4-14(12)19(15)26/h3-6,9H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyWQFXZUSBHCVITA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.77
Rot. Bonds4

About N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide

N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide (PubChem CID 21114363) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide
PubChem CID21114363
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide
SMILESCOc1ccc2c(n1)c(CCNC(C)=O)c1n2Cc2cc(C(F)(F)F)ccc2-1
InChIInChI=1S/C20H18F3N3O2/c1-11(27)24-8-7-15-18-16(5-6-17(25-18)28-2)26-10-12-9-13(20(21,22)23)3-4-14(12)19(15)26/h3-6,9H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyWQFXZUSBHCVITA-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide (CID 21114363) is N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide is COc1ccc2c(n1)c(CCNC(C)=O)c1n2Cc2cc(C(F)(F)F)ccc2-1.
What is the InChIKey of N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide?
The InChIKey is WQFXZUSBHCVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-11(27)24-8-7-15-18-16(5-6-17(25-18)28-2)26-10-12-9-13(20(21,22)23)3-4-14(12)19(15)26/h3-6,9H,7-8,10H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide?
N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-13-(trifluoromethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl]ethyl]acetamide is sourced from PubChem (CID 21114363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).