N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide

C25H23F3N2O — CID 143473581

IUPACN-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)(Cc1cccc(C(F)(F)F)c1)c1ccccn1)C1CC1
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)21-10-6-9-19(15-21)17-24(22-11-4-5-14-29-22,30-23(31)20-12-13-20)16-18-7-2-1-3-8-18/h1-11,14-15,20H,12-13,16-17H2,(H,30,31)
InChIKeyMTZBAXLWGSVZOO-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.31
Rot. Bonds7

About N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide

N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide (PubChem CID 143473581) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
PubChem CID143473581
Molecular FormulaC25H23F3N2O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)(Cc1cccc(C(F)(F)F)c1)c1ccccn1)C1CC1
InChIInChI=1S/C25H23F3N2O/c26-25(27,28)21-10-6-9-19(15-21)17-24(22-11-4-5-14-29-22,30-23(31)20-12-13-20)16-18-7-2-1-3-8-18/h1-11,14-15,20H,12-13,16-17H2,(H,30,31)
InChIKeyMTZBAXLWGSVZOO-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 58921319
2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58920411
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-(4-cyanophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58921600
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948
2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine
CID 143474512
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 66934497
4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
CID 53141343
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide (CID 143473581) is N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide is O=C(NC(Cc1ccccc1)(Cc1cccc(C(F)(F)F)c1)c1ccccn1)C1CC1.
What is the InChIKey of N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
The InChIKey is MTZBAXLWGSVZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O/c26-25(27,28)21-10-6-9-19(15-21)17-24(22-11-4-5-14-29-22,30-23(31)20-12-13-20)16-18-7-2-1-3-8-18/h1-11,14-15,20H,12-13,16-17H2,(H,30,31).
What are the key properties of N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide?
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide has a molecular weight of 424.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143473581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).