3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

C22H18F3N3O2 — CID 60601250

IUPAC3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCc1ccccn1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3N3O2/c23-22(24,25)16-6-4-9-19(14-16)28-21(30)15-5-3-8-18(13-15)27-20(29)11-10-17-7-1-2-12-26-17/h1-9,12-14H,10-11H2,(H,27,29)(H,28,30)
InChIKeyXYHKOBHVZLAPIE-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.92
Rot. Bonds6

About 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60601250) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID60601250
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCc1ccccn1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3N3O2/c23-22(24,25)16-6-4-9-19(14-16)28-21(30)15-5-3-8-18(13-15)27-20(29)11-10-17-7-1-2-12-26-17/h1-9,12-14H,10-11H2,(H,27,29)(H,28,30)
InChIKeyXYHKOBHVZLAPIE-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113151534
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27990480
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 60601250) is 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CCc1ccccn1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XYHKOBHVZLAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c23-22(24,25)16-6-4-9-19(14-16)28-21(30)15-5-3-8-18(13-15)27-20(29)11-10-17-7-1-2-12-26-17/h1-9,12-14H,10-11H2,(H,27,29)(H,28,30).
What are the key properties of 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 413.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60601250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).