N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide

C20H14F5N3O2 — CID 24852429

IUPACN-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cc2c(cc1F)Oc1cccc(F)c1[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN21
InChIInChI=1S/C20H14F5N3O2/c21-11-3-1-5-15-17(11)18-13(27-19(29)20(23,24)25)4-2-6-28(18)14-7-10(9-26)12(22)8-16(14)30-15/h1,3,5,7-8,13,18H,2,4,6H2,(H,27,29)/t13-,18-/m0/s1
InChIKeyNIWAEECPEFJRPT-UGSOOPFHSA-N
MW423.34 g/mol
LogP4.33
Rot. Bonds1

About N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide

N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide (PubChem CID 24852429) has the molecular formula C20H14F5N3O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
PubChem CID24852429
Molecular FormulaC20H14F5N3O2
Molecular Weight423.34 g/mol
Exact Mass423.10
IUPAC NameN-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cc2c(cc1F)Oc1cccc(F)c1[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN21
InChIInChI=1S/C20H14F5N3O2/c21-11-3-1-5-15-17(11)18-13(27-19(29)20(23,24)25)4-2-6-28(18)14-7-10(9-26)12(22)8-16(14)30-15/h1,3,5,7-8,13,18H,2,4,6H2,(H,27,29)/t13-,18-/m0/s1
InChIKeyNIWAEECPEFJRPT-UGSOOPFHSA-N
XLogP4.33
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(7R)-17-fluoro-18-methyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]acetamide
CID 143649656
N-[(6R,7S)-18-bromo-11,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 86619616
N-[(6S,7R)-19-chloro-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-yl]acetamide
CID 59706278
N-[(6S,7S)-18-acetyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 87537322
N-[(6S,7R)-19-cyano-17-fluoro-18-methyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 143649662
N-[(6R,7S)-18-bromo-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 87537740
N-(19-acetyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)-2,2,2-trifluoroacetamide
CID 87537741
N-[(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 87537105
N-(17-cyano-9-methyl-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)-2,2,2-trifluoroacetamide
CID 87231641
N-(17-cyano-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)-2,2,2-trifluoroacetamide
CID 87230517
N-[1-(2-cyanophenyl)piperidin-2-yl]-2-hydroxyacetamide
CID 70365736
2-fluoro-6-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 96534911

Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide (CID 24852429) is N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide is N#Cc1cc2c(cc1F)Oc1cccc(F)c1[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN21.
What is the InChIKey of N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide?
The InChIKey is NIWAEECPEFJRPT-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H14F5N3O2/c21-11-3-1-5-15-17(11)18-13(27-19(29)20(23,24)25)4-2-6-28(18)14-7-10(9-26)12(22)8-16(14)30-15/h1,3,5,7-8,13,18H,2,4,6H2,(H,27,29)/t13-,18-/m0/s1.
What are the key properties of N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide?
N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide has a molecular weight of 423.34 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R)-18-cyano-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8(13),9,11,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 24852429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).