3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C23H19F4N3O2 — CID 59673274

IUPAC3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19F4N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31)
InChIKeyILSWKKWERNQMMV-UHFFFAOYSA-N
MW445.42 g/mol
LogP5.00
Rot. Bonds4

About 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673274) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673274
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19F4N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31)
InChIKeyILSWKKWERNQMMV-UHFFFAOYSA-N
XLogP5.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(3-methoxy-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59672860
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673213
N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673724
N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 53375899
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673274) is 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is ILSWKKWERNQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31).
What are the key properties of 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 445.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).