4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21F4N3O2 — CID 86297690

IUPAC4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CF)c(-c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H21F4N3O2/c25-15-18-5-4-17(23(32)30-20-3-1-2-19(14-20)24(26,27)28)12-21(18)16-6-7-29-22(13-16)31-8-10-33-11-9-31/h1-7,12-14H,8-11,15H2,(H,30,32)
InChIKeyHADQWOUFZYOCND-UHFFFAOYSA-N
MW459.44 g/mol
LogP5.33
Rot. Bonds5

About 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 86297690) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID86297690
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CF)c(-c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H21F4N3O2/c25-15-18-5-4-17(23(32)30-20-3-1-2-19(14-20)24(26,27)28)12-21(18)16-6-7-29-22(13-16)31-8-10-33-11-9-31/h1-7,12-14H,8-11,15H2,(H,30,32)
InChIKeyHADQWOUFZYOCND-UHFFFAOYSA-N
XLogP5.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 86297690) is 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CF)c(-c2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HADQWOUFZYOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c25-15-18-5-4-17(23(32)30-20-3-1-2-19(14-20)24(26,27)28)12-21(18)16-6-7-29-22(13-16)31-8-10-33-11-9-31/h1-7,12-14H,8-11,15H2,(H,30,32).
What are the key properties of 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 459.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 86297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).