N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide

C14H20F2N4O — CID 155344094

IUPACN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3
InChIInChI=1S/C14H20F2N4O/c1-9(21)18-6-10-2-4-14(15,16)13-11-7-17-5-3-12(11)19-20(13)8-10/h10,17H,2-8H2,1H3,(H,18,21)
InChIKeyPDRXQRHBZDEULN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.17
Rot. Bonds2

About N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide

N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide (PubChem CID 155344094) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide
PubChem CID155344094
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC NameN-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3
InChIInChI=1S/C14H20F2N4O/c1-9(21)18-6-10-2-4-14(15,16)13-11-7-17-5-3-12(11)19-20(13)8-10/h10,17H,2-8H2,1H3,(H,18,21)
InChIKeyPDRXQRHBZDEULN-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide?
The IUPAC name of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide (CID 155344094) is N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide.
What is the SMILES notation for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide?
The canonical SMILES for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide is CC(=O)NCC1CCC(F)(F)c2c3c(nn2C1)CCNC3.
What is the InChIKey of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide?
The InChIKey is PDRXQRHBZDEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-9(21)18-6-10-2-4-14(15,16)13-11-7-17-5-3-12(11)19-20(13)8-10/h10,17H,2-8H2,1H3,(H,18,21).
What are the key properties of N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide?
N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide has a molecular weight of 298.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl)methyl]acetamide is sourced from PubChem (CID 155344094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).