N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide

C18H13F4NO2 — CID 134115833

IUPACN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C18H13F4NO2/c1-23(15-9-11-8-13(19)6-7-14(11)16(15)24)17(25)10-2-4-12(5-3-10)18(20,21)22/h2-8,15H,9H2,1H3
InChIKeyVCOVDCPZZCTJTF-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.72
Rot. Bonds2

About N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide

N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 134115833) has the molecular formula C18H13F4NO2 and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID134115833
Molecular FormulaC18H13F4NO2
Molecular Weight351.30 g/mol
Exact Mass351.09
IUPAC NameN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)C1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C18H13F4NO2/c1-23(15-9-11-8-13(19)6-7-14(11)16(15)24)17(25)10-2-4-12(5-3-10)18(20,21)22/h2-8,15H,9H2,1H3
InChIKeyVCOVDCPZZCTJTF-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 23349847
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
ethyl N-[[5-fluoro-2-(4-fluorophenyl)-2,3-dihydroinden-1-ylidene]amino]-N-[[4-(trifluoromethyl)phenyl]carbamoyl]carbamate
CID 57127800

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide (CID 134115833) is N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(C(F)(F)F)cc1)C1Cc2cc(F)ccc2C1=O.
What is the InChIKey of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is VCOVDCPZZCTJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO2/c1-23(15-9-11-8-13(19)6-7-14(11)16(15)24)17(25)10-2-4-12(5-3-10)18(20,21)22/h2-8,15H,9H2,1H3.
What are the key properties of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide?
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 351.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).