2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C24H23F4N5O2 — CID 58155042

IUPAC2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F
InChIInChI=1S/C24H23F4N5O2/c1-29-23(34)16-4-2-3-5-19(16)31-21-13-22(30-14-17(21)24(26,27)28)32-20-7-6-15(12-18(20)25)33-8-10-35-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,29,34)(H2,30,31,32)
InChIKeyUXVFPQFXYFOQJU-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.92
Rot. Bonds6

About 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 58155042) has the molecular formula C24H23F4N5O2 and a molecular weight of 489.47 g/mol. Its IUPAC name is 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID58155042
Molecular FormulaC24H23F4N5O2
Molecular Weight489.47 g/mol
Exact Mass489.18
IUPAC Name2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F
InChIInChI=1S/C24H23F4N5O2/c1-29-23(34)16-4-2-3-5-19(16)31-21-13-22(30-14-17(21)24(26,27)28)32-20-7-6-15(12-18(20)25)33-8-10-35-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,29,34)(H2,30,31,32)
InChIKeyUXVFPQFXYFOQJU-UHFFFAOYSA-N
XLogP4.92
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 58155042) is 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2F)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is UXVFPQFXYFOQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O2/c1-29-23(34)16-4-2-3-5-19(16)31-21-13-22(30-14-17(21)24(26,27)28)32-20-7-6-15(12-18(20)25)33-8-10-35-11-9-33/h2-7,12-14H,8-11H2,1H3,(H,29,34)(H2,30,31,32).
What are the key properties of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 489.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 58155042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).