N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide

C25H20F6N2O2 — CID 148600799

IUPACN-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(CCc1cccnc1)Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C25H20F6N2O2/c26-24(27,28)19-8-10-22(25(29,30)31)21(13-19)23(35)33-15-18-5-3-16(4-6-18)12-20(34)9-7-17-2-1-11-32-14-17/h1-6,8,10-11,13-14H,7,9,12,15H2,(H,33,35)
InChIKeyNCLVQSBFJSPNOH-UHFFFAOYSA-N
MW494.44 g/mol
LogP5.79
Rot. Bonds8

About N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide

N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide (PubChem CID 148600799) has the molecular formula C25H20F6N2O2 and a molecular weight of 494.44 g/mol. Its IUPAC name is N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
PubChem CID148600799
Molecular FormulaC25H20F6N2O2
Molecular Weight494.44 g/mol
Exact Mass494.14
IUPAC NameN-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(CCc1cccnc1)Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C25H20F6N2O2/c26-24(27,28)19-8-10-22(25(29,30)31)21(13-19)23(35)33-15-18-5-3-16(4-6-18)12-20(34)9-7-17-2-1-11-32-14-17/h1-6,8,10-11,13-14H,7,9,12,15H2,(H,33,35)
InChIKeyNCLVQSBFJSPNOH-UHFFFAOYSA-N
XLogP5.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
1-[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 158449479
1-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147728755
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883496
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 132601511
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
1-(3-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 105083823

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide (CID 148600799) is N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide is O=C(CCc1cccnc1)Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is NCLVQSBFJSPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N2O2/c26-24(27,28)19-8-10-22(25(29,30)31)21(13-19)23(35)33-15-18-5-3-16(4-6-18)12-20(34)9-7-17-2-1-11-32-14-17/h1-6,8,10-11,13-14H,7,9,12,15H2,(H,33,35).
What are the key properties of N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide?
N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 494.44 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 148600799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).