3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

C24H22F7NO — CID 134222036

IUPAC3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1F
InChIInChI=1S/C24H22F7NO/c1-13-9-17(10-14(2)22(13)25)19(24(29,30)31)7-4-15-3-6-18-16(11-15)5-8-20(18)32-21(33)12-23(26,27)28/h3-4,6-7,9-11,19-20H,5,8,12H2,1-2H3,(H,32,33)/b7-4+
InChIKeyJTSFZTZBEHMERJ-QPJJXVBHSA-N
MW473.43 g/mol
LogP6.86
Rot. Bonds5

About 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 134222036) has the molecular formula C24H22F7NO and a molecular weight of 473.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID134222036
Molecular FormulaC24H22F7NO
Molecular Weight473.43 g/mol
Exact Mass473.16
IUPAC Name3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1F
InChIInChI=1S/C24H22F7NO/c1-13-9-17(10-14(2)22(13)25)19(24(29,30)31)7-4-15-3-6-18-16(11-15)5-8-20(18)32-21(33)12-23(26,27)28/h3-4,6-7,9-11,19-20H,5,8,12H2,1-2H3,(H,32,33)/b7-4+
InChIKeyJTSFZTZBEHMERJ-QPJJXVBHSA-N
XLogP6.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide with MolForge

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6465707
N-[1-(3,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6469972
1-[2-(4-Tert-butylphenyl)-2-(indan-2-ylamino)ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 45114297
(2S)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 145992527
N-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-4,4,4-trifluorobutanamide
CID 23723919
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-dihydro-1H-inden-2-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44573537
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-dihydro-1H-inden-1-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44573568
N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260232
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 72703068
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-cyano-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 72703069
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-cyano-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 72705828
[(1S,3R)-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 118734577

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide (CID 134222036) is 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide is Cc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1F.
What is the InChIKey of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is JTSFZTZBEHMERJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H22F7NO/c1-13-9-17(10-14(2)22(13)25)19(24(29,30)31)7-4-15-3-6-18-16(11-15)5-8-20(18)32-21(33)12-23(26,27)28/h3-4,6-7,9-11,19-20H,5,8,12H2,1-2H3,(H,32,33)/b7-4+.
What are the key properties of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 473.43 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 134222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).