3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide

C22H17F4N3O4 — CID 46477710

IUPAC3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C22H17F4N3O4/c1-33-18-7-6-16(10-17(18)28-21(32)13-3-2-4-15(23)9-13)27-19(30)12-29-11-14(22(24,25)26)5-8-20(29)31/h2-11H,12H2,1H3,(H,27,30)(H,28,32)
InChIKeyUHLIQAQKPSDMFZ-UHFFFAOYSA-N
MW463.39 g/mol
LogP3.91
Rot. Bonds6

About 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide

3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide (PubChem CID 46477710) has the molecular formula C22H17F4N3O4 and a molecular weight of 463.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
PubChem CID46477710
Molecular FormulaC22H17F4N3O4
Molecular Weight463.39 g/mol
Exact Mass463.12
IUPAC Name3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C22H17F4N3O4/c1-33-18-7-6-16(10-17(18)28-21(32)13-3-2-4-15(23)9-13)27-19(30)12-29-11-14(22(24,25)26)5-8-20(29)31/h2-11H,12H2,1H3,(H,27,30)(H,28,32)
InChIKeyUHLIQAQKPSDMFZ-UHFFFAOYSA-N
XLogP3.91
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide with MolForge

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Related Compounds

3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064198
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide (CID 46477710) is 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide is COc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide?
The InChIKey is UHLIQAQKPSDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O4/c1-33-18-7-6-16(10-17(18)28-21(32)13-3-2-4-15(23)9-13)27-19(30)12-29-11-14(22(24,25)26)5-8-20(29)31/h2-11H,12H2,1H3,(H,27,30)(H,28,32).
What are the key properties of 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide?
3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide has a molecular weight of 463.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 46477710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).