4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid

C23H18F4N2O3 — CID 174416370

IUPAC4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1Cc2cccc(-c3ccncc3)c2C1)c1ccc(F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17FN2O.C2HF3O2/c22-17-6-4-15(5-7-17)21(25)24-18-12-16-2-1-3-19(20(16)13-18)14-8-10-23-11-9-14;3-2(4,5)1(6)7/h1-11,18H,12-13H2,(H,24,25);(H,6,7)
InChIKeyBQPMNWNCKZGSAT-UHFFFAOYSA-N
MW446.40 g/mol
LogP4.42
Rot. Bonds3

About 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid

4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 174416370) has the molecular formula C23H18F4N2O3 and a molecular weight of 446.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID174416370
Molecular FormulaC23H18F4N2O3
Molecular Weight446.40 g/mol
Exact Mass446.13
IUPAC Name4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1Cc2cccc(-c3ccncc3)c2C1)c1ccc(F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17FN2O.C2HF3O2/c22-17-6-4-15(5-7-17)21(25)24-18-12-16-2-1-3-19(20(16)13-18)14-8-10-23-11-9-14;3-2(4,5)1(6)7/h1-11,18H,12-13H2,(H,24,25);(H,6,7)
InChIKeyBQPMNWNCKZGSAT-UHFFFAOYSA-N
XLogP4.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
6-propan-2-yloxy-N-[(2R)-8-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 66813834
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66814034
2-methyl-1-(5-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 143973524
N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
CID 10083556
naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine
CID 139039106
3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583605
benzene-1,3-dicarboxylic acid;7-(4-fluorophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174553880
N-cyclopentylpyridine-4-carboxamide
CID 4212000
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid (CID 174416370) is 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid is O=C(NC1Cc2cccc(-c3ccncc3)c2C1)c1ccc(F)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is BQPMNWNCKZGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O.C2HF3O2/c22-17-6-4-15(5-7-17)21(25)24-18-12-16-2-1-3-19(20(16)13-18)14-8-10-23-11-9-14;3-2(4,5)1(6)7/h1-11,18H,12-13H2,(H,24,25);(H,6,7).
What are the key properties of 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid?
4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 446.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyridin-4-yl-2,3-dihydro-1H-inden-2-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174416370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).