1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide

C26H30F5NO — CID 129016497

IUPAC1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCc1cc(C(F)(C(C)(F)F)C(C)(F)F)cc(C)c1NC(=O)c1ccc2c(c1)CCC2CC
InChIInChI=1S/C26H30F5NO/c1-6-16-8-9-18-13-19(10-11-21(16)18)23(33)32-22-15(3)12-20(14-17(22)7-2)26(31,24(4,27)28)25(5,29)30/h10-14,16H,6-9H2,1-5H3,(H,32,33)
InChIKeyXJLXZRDTBZHKCD-UHFFFAOYSA-N
MW467.52 g/mol
LogP7.72
Rot. Bonds7

About 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide

1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 129016497) has the molecular formula C26H30F5NO and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID129016497
Molecular FormulaC26H30F5NO
Molecular Weight467.52 g/mol
Exact Mass467.22
IUPAC Name1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCc1cc(C(F)(C(C)(F)F)C(C)(F)F)cc(C)c1NC(=O)c1ccc2c(c1)CCC2CC
InChIInChI=1S/C26H30F5NO/c1-6-16-8-9-18-13-19(10-11-21(16)18)23(33)32-22-15(3)12-20(14-17(22)7-2)26(31,24(4,27)28)25(5,29)30/h10-14,16H,6-9H2,1-5H3,(H,32,33)
InChIKeyXJLXZRDTBZHKCD-UHFFFAOYSA-N
XLogP7.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-[[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 88531191
N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-1-nitroso-2,3-dihydro-1H-indene-5-carboxamide
CID 123637666
1-(cyclopropanecarbonylamino)-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 50938847
4-acetyl-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]benzamide
CID 86666624
3-bromo-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-4-fluorobenzamide
CID 87221630
3-bromo-4-(chloromethyl)-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]benzamide
CID 88531405
2-chloro-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]quinoline-6-carboxamide
CID 89106196
4-(aminomethyl)-3-cyclobutyl-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 163858868
N-[2-ethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)-6-methylphenyl]-3-nitroso-4-pyrazol-1-ylbenzamide
CID 129016762
6-[(2,2-dimethylpropanoylamino)methyl]-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]pyridine-3-carboxamide
CID 50938739
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325541
[1-[4-[[4-(acetamidomethyl)benzoyl]amino]-3-ethyl-5-methylphenyl]-1,2,2-trifluoropropyl]-trifluoroazanium
CID 123288950

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 129016497) is 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide is CCc1cc(C(F)(C(C)(F)F)C(C)(F)F)cc(C)c1NC(=O)c1ccc2c(c1)CCC2CC.
What is the InChIKey of 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is XJLXZRDTBZHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F5NO/c1-6-16-8-9-18-13-19(10-11-21(16)18)23(33)32-22-15(3)12-20(14-17(22)7-2)26(31,24(4,27)28)25(5,29)30/h10-14,16H,6-9H2,1-5H3,(H,32,33).
What are the key properties of 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 7.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-ethyl-6-methyl-4-(2,2,3,4,4-pentafluoropentan-3-yl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 129016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).