N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide

C22H17F3N2O — CID 58487425

IUPACN-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)C(F)(F)CC2
InChIInChI=1S/C22H17F3N2O/c1-13-10-14-8-9-22(24,25)18(14)11-17(13)15-6-7-20(26-12-15)27-21(28)16-4-2-3-5-19(16)23/h2-7,10-12H,8-9H2,1H3,(H,26,27,28)
InChIKeyIRIQRPFADZZUMR-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.49
Rot. Bonds3

About N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide

N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58487425) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide
PubChem CID58487425
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)C(F)(F)CC2
InChIInChI=1S/C22H17F3N2O/c1-13-10-14-8-9-22(24,25)18(14)11-17(13)15-6-7-20(26-12-15)27-21(28)16-4-2-3-5-19(16)23/h2-7,10-12H,8-9H2,1H3,(H,26,27,28)
InChIKeyIRIQRPFADZZUMR-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487360
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482
N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486870
N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 162060237
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486713
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-(5-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]benzamide
CID 160640447
2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487416
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 58487519
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
N-[5-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide
CID 159307138

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide (CID 58487425) is N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)C(F)(F)CC2.
What is the InChIKey of N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is IRIQRPFADZZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-13-10-14-8-9-22(24,25)18(14)11-17(13)15-6-7-20(26-12-15)27-21(28)16-4-2-3-5-19(16)23/h2-7,10-12H,8-9H2,1H3,(H,26,27,28).
What are the key properties of N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 382.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluoro-6-methyl-1,2-dihydroinden-5-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58487425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).