N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C20H18F3NO — CID 68704570

IUPACN-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C20H18F3NO/c1-13-12-14(10-11-20(21,22)23)8-9-16(13)19(25)24-18-7-3-5-15-4-2-6-17(15)18/h3,5,7-12H,2,4,6H2,1H3,(H,24,25)
InChIKeyUNLPUABTHMVILT-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.31
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 68704570) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID68704570
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C20H18F3NO/c1-13-12-14(10-11-20(21,22)23)8-9-16(13)19(25)24-18-7-3-5-15-4-2-6-17(15)18/h3,5,7-12H,2,4,6H2,1H3,(H,24,25)
InChIKeyUNLPUABTHMVILT-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 68704570) is N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is UNLPUABTHMVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-13-12-14(10-11-20(21,22)23)8-9-16(13)19(25)24-18-7-3-5-15-4-2-6-17(15)18/h3,5,7-12H,2,4,6H2,1H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 68704570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).