2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

C27H25F4N3O2 — CID 169258245

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1C1CCc2cc(F)ccc21
InChIInChI=1S/C27H25F4N3O2/c28-20-5-8-21-17(14-20)3-6-22(21)24-15-19(27(29,30)31)4-7-23(24)26(35)33-16-18-2-1-9-32-25(18)34-10-12-36-13-11-34/h1-2,4-5,7-9,14-15,22H,3,6,10-13,16H2,(H,33,35)
InChIKeyLGZWUAUYZKVKNO-UHFFFAOYSA-N
MW499.51 g/mol
LogP5.08
Rot. Bonds5

About 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 169258245) has the molecular formula C27H25F4N3O2 and a molecular weight of 499.51 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID169258245
Molecular FormulaC27H25F4N3O2
Molecular Weight499.51 g/mol
Exact Mass499.19
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1C1CCc2cc(F)ccc21
InChIInChI=1S/C27H25F4N3O2/c28-20-5-8-21-17(14-20)3-6-22(21)24-15-19(27(29,30)31)4-7-23(24)26(35)33-16-18-2-1-9-32-25(18)34-10-12-36-13-11-34/h1-2,4-5,7-9,14-15,22H,3,6,10-13,16H2,(H,33,35)
InChIKeyLGZWUAUYZKVKNO-UHFFFAOYSA-N
XLogP5.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (CID 169258245) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1C1CCc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LGZWUAUYZKVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N3O2/c28-20-5-8-21-17(14-20)3-6-22(21)24-15-19(27(29,30)31)4-7-23(24)26(35)33-16-18-2-1-9-32-25(18)34-10-12-36-13-11-34/h1-2,4-5,7-9,14-15,22H,3,6,10-13,16H2,(H,33,35).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 499.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 169258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).