2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide

C22H23FN2O — CID 58487416

IUPAC2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccccc3F)nc2)CC2CCCC2C1
InChIInChI=1S/C22H23FN2O/c1-14-11-15-5-4-6-16(15)12-19(14)17-9-10-21(24-13-17)25-22(26)18-7-2-3-8-20(18)23/h2-3,7-10,13,15-16H,4-6,11-12H2,1H3,(H,24,25,26)
InChIKeyUGYMRFWPYWPMAB-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.46
Rot. Bonds3

About 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide

2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide (PubChem CID 58487416) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide
PubChem CID58487416
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccccc3F)nc2)CC2CCCC2C1
InChIInChI=1S/C22H23FN2O/c1-14-11-15-5-4-6-16(15)12-19(14)17-9-10-21(24-13-17)25-22(26)18-7-2-3-8-20(18)23/h2-3,7-10,13,15-16H,4-6,11-12H2,1H3,(H,24,25,26)
InChIKeyUGYMRFWPYWPMAB-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide (CID 58487416) is 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide is CC1=C(c2ccc(NC(=O)c3ccccc3F)nc2)CC2CCCC2C1.
What is the InChIKey of 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The InChIKey is UGYMRFWPYWPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-14-11-15-5-4-6-16(15)12-19(14)17-9-10-21(24-13-17)25-22(26)18-7-2-3-8-20(18)23/h2-3,7-10,13,15-16H,4-6,11-12H2,1H3,(H,24,25,26).
What are the key properties of 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(6-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).