2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C27H27F3N2O — CID 58921043

IUPAC2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C27H27F3N2O/c28-27(29,30)23-14-8-13-22(18-23)26(24-15-6-7-16-31-24,19-21-11-2-1-3-12-21)32-25(33)17-20-9-4-5-10-20/h1-3,6-8,11-16,18,20H,4-5,9-10,17,19H2,(H,32,33)
InChIKeyUKCKAVFOKPINMS-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.28
Rot. Bonds7

About 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58921043) has the molecular formula C27H27F3N2O and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58921043
Molecular FormulaC27H27F3N2O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C27H27F3N2O/c28-27(29,30)23-14-8-13-22(18-23)26(24-15-6-7-16-31-24,19-21-11-2-1-3-12-21)32-25(33)17-20-9-4-5-10-20/h1-3,6-8,11-16,18,20H,4-5,9-10,17,19H2,(H,32,33)
InChIKeyUKCKAVFOKPINMS-UHFFFAOYSA-N
XLogP6.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 58921319
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948
1-(4-cyanophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58921600
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581
1-[3-[cyclopentyl(difluoro)methyl]phenyl]-N-methyl-2-phenyl-1-pyridin-2-ylethanamine
CID 143473044
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58920992
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
1-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 58920809

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58921043) is 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is UKCKAVFOKPINMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O/c28-27(29,30)23-14-8-13-22(18-23)26(24-15-6-7-16-31-24,19-21-11-2-1-3-12-21)32-25(33)17-20-9-4-5-10-20/h1-3,6-8,11-16,18,20H,4-5,9-10,17,19H2,(H,32,33).
What are the key properties of 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58921043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).