N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide

C20H19F3N2O3 — CID 91540854

IUPACN-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O3/c1-8(26)24-15-5-2-9(6-14(15)20(21,22)23)25-18(27)16-10-3-4-11(13-7-12(10)13)17(16)19(25)28/h2,5-6,10-13,27-28H,3-4,7H2,1H3,(H,24,26)/t10-,11+,12+,13-
InChIKeyDCCGHKCQCUQARF-FNFFVJSTSA-N
MW392.38 g/mol
LogP4.48
Rot. Bonds2

About N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide

N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 91540854) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide
PubChem CID91540854
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O3/c1-8(26)24-15-5-2-9(6-14(15)20(21,22)23)25-18(27)16-10-3-4-11(13-7-12(10)13)17(16)19(25)28/h2,5-6,10-13,27-28H,3-4,7H2,1H3,(H,24,26)/t10-,11+,12+,13-
InChIKeyDCCGHKCQCUQARF-FNFFVJSTSA-N
XLogP4.48
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide (CID 91540854) is N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3[C@H]3C[C@H]32)cc1C(F)(F)F.
What is the InChIKey of N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DCCGHKCQCUQARF-FNFFVJSTSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-8(26)24-15-5-2-9(6-14(15)20(21,22)23)25-18(27)16-10-3-4-11(13-7-12(10)13)17(16)19(25)28/h2,5-6,10-13,27-28H,3-4,7H2,1H3,(H,24,26)/t10-,11+,12+,13-.
What are the key properties of N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide?
N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,7S,8S,10R)-3,5-dihydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-dien-4-yl]-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91540854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).