N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide

C30H24F6N2O — CID 149093732

IUPACN-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)(Cc2ccccc2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C30H24F6N2O/c1-20-8-5-15-26(38-20)28(18-21-9-3-2-4-10-21,23-12-7-14-25(17-23)30(34,35)36)19-37-27(39)22-11-6-13-24(16-22)29(31,32)33/h2-17H,18-19H2,1H3,(H,37,39)
InChIKeyQSZQZFNTLXLGHP-UHFFFAOYSA-N
MW542.52 g/mol
LogP7.39
Rot. Bonds7

About N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide

N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide (PubChem CID 149093732) has the molecular formula C30H24F6N2O and a molecular weight of 542.52 g/mol. Its IUPAC name is N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
PubChem CID149093732
Molecular FormulaC30H24F6N2O
Molecular Weight542.52 g/mol
Exact Mass542.18
IUPAC NameN-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)(Cc2ccccc2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C30H24F6N2O/c1-20-8-5-15-26(38-20)28(18-21-9-3-2-4-10-21,23-12-7-14-25(17-23)30(34,35)36)19-37-27(39)22-11-6-13-24(16-22)29(31,32)33/h2-17H,18-19H2,1H3,(H,37,39)
InChIKeyQSZQZFNTLXLGHP-UHFFFAOYSA-N
XLogP7.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.52
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide (CID 149093732) is N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide is Cc1cccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)(Cc2ccccc2)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QSZQZFNTLXLGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N2O/c1-20-8-5-15-26(38-20)28(18-21-9-3-2-4-10-21,23-12-7-14-25(17-23)30(34,35)36)19-37-27(39)22-11-6-13-24(16-22)29(31,32)33/h2-17H,18-19H2,1H3,(H,37,39).
What are the key properties of N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide?
N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 542.52 g/mol, XLogP of 7.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 149093732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).