N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide

C18H13F3N2O4 — CID 156895589

IUPACN-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide
SMILESCC(=O)N[C@@]12C(=O)c3c(N)cccc3[C@]1(O)Oc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H13F3N2O4/c1-8(24)23-16-10-6-5-9(18(19,20)21)7-13(10)27-17(16,26)11-3-2-4-12(22)14(11)15(16)25/h2-7,26H,22H2,1H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyOIDCHZNPOLORBR-IRXDYDNUSA-N
MW378.31 g/mol
LogP2.05
Rot. Bonds1

About N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide

N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide (PubChem CID 156895589) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide.

Molecular Properties

Compound NameN-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide
PubChem CID156895589
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC NameN-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide
SMILESCC(=O)N[C@@]12C(=O)c3c(N)cccc3[C@]1(O)Oc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H13F3N2O4/c1-8(24)23-16-10-6-5-9(18(19,20)21)7-13(10)27-17(16,26)11-3-2-4-12(22)14(11)15(16)25/h2-7,26H,22H2,1H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyOIDCHZNPOLORBR-IRXDYDNUSA-N
XLogP2.05
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide?
The IUPAC name of N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide (CID 156895589) is N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide.
What is the SMILES notation for N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide?
The canonical SMILES for N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide is CC(=O)N[C@@]12C(=O)c3c(N)cccc3[C@]1(O)Oc1cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide?
The InChIKey is OIDCHZNPOLORBR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-8(24)23-16-10-6-5-9(18(19,20)21)7-13(10)27-17(16,26)11-3-2-4-12(22)14(11)15(16)25/h2-7,26H,22H2,1H3,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide?
N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide has a molecular weight of 378.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide is sourced from PubChem (CID 156895589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).