2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide

C20H19F4NO — CID 144874618

IUPAC2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide
SMILESCC1c2ccccc2C(C)(C)C1NC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C20H19F4NO/c1-11-12-7-4-5-8-13(12)19(2,3)17(11)25-18(26)16-14(20(22,23)24)9-6-10-15(16)21/h4-11,17H,1-3H3,(H,25,26)
InChIKeyWRBLBJRKDYUXOK-UHFFFAOYSA-N
MW365.37 g/mol
LogP5.04
Rot. Bonds2

About 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide

2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide (PubChem CID 144874618) has the molecular formula C20H19F4NO and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide
PubChem CID144874618
Molecular FormulaC20H19F4NO
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide
SMILESCC1c2ccccc2C(C)(C)C1NC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C20H19F4NO/c1-11-12-7-4-5-8-13(12)19(2,3)17(11)25-18(26)16-14(20(22,23)24)9-6-10-15(16)21/h4-11,17H,1-3H3,(H,25,26)
InChIKeyWRBLBJRKDYUXOK-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
2-tert-butyl-6-fluoro-N-methylbenzamide
CID 71273490
1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
CID 89360581
2,6-difluoro-N-[(2S)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 125464734
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropanoate
CID 83403472
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 153386297
N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 24772158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide (CID 144874618) is 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide is CC1c2ccccc2C(C)(C)C1NC(=O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide?
The InChIKey is WRBLBJRKDYUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO/c1-11-12-7-4-5-8-13(12)19(2,3)17(11)25-18(26)16-14(20(22,23)24)9-6-10-15(16)21/h4-11,17H,1-3H3,(H,25,26).
What are the key properties of 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide?
2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide has a molecular weight of 365.37 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide is sourced from PubChem (CID 144874618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).