N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide

C23H16F3NO3 — CID 147926657

IUPACN-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c2c1C(=O)CC2)c1ccccc1
InChIInChI=1S/C23H16F3NO3/c24-23(25,26)30-20-9-5-4-8-16(20)15-10-12-18(21-17(15)11-13-19(21)28)27-22(29)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,27,29)
InChIKeyIJAZKJHGMFRUAH-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.63
Rot. Bonds4

About N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide

N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide (PubChem CID 147926657) has the molecular formula C23H16F3NO3 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
PubChem CID147926657
Molecular FormulaC23H16F3NO3
Molecular Weight411.38 g/mol
Exact Mass411.11
IUPAC NameN-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c2c1C(=O)CC2)c1ccccc1
InChIInChI=1S/C23H16F3NO3/c24-23(25,26)30-20-9-5-4-8-16(20)15-10-12-18(21-17(15)11-13-19(21)28)27-22(29)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,27,29)
InChIKeyIJAZKJHGMFRUAH-UHFFFAOYSA-N
XLogP5.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 147109047
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide
CID 148771618
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide?
The IUPAC name of N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide (CID 147926657) is N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide.
What is the SMILES notation for N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide?
The canonical SMILES for N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide is O=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c2c1C(=O)CC2)c1ccccc1.
What is the InChIKey of N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide?
The InChIKey is IJAZKJHGMFRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO3/c24-23(25,26)30-20-9-5-4-8-16(20)15-10-12-18(21-17(15)11-13-19(21)28)27-22(29)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,27,29).
What are the key properties of N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide?
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide has a molecular weight of 411.38 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide is sourced from PubChem (CID 147926657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).