N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide

C25H22ClF3N2O2 — CID 58919922

IUPACN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(F)(F)F)cc1[C@@](Cc1ccccc1)(NC(=O)C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C25H22ClF3N2O2/c1-33-21-11-9-18(25(27,28)29)13-20(21)24(31-23(32)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-30-22/h2-6,9-13,15,17H,7-8,14H2,1H3,(H,31,32)/t24-/m1/s1
InChIKeyHLBOHQUREGAXGF-XMMPIXPASA-N
MW474.91 g/mol
LogP5.77
Rot. Bonds7

About N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide (PubChem CID 58919922) has the molecular formula C25H22ClF3N2O2 and a molecular weight of 474.91 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
PubChem CID58919922
Molecular FormulaC25H22ClF3N2O2
Molecular Weight474.91 g/mol
Exact Mass474.13
IUPAC NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(F)(F)F)cc1[C@@](Cc1ccccc1)(NC(=O)C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C25H22ClF3N2O2/c1-33-21-11-9-18(25(27,28)29)13-20(21)24(31-23(32)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-30-22/h2-6,9-13,15,17H,7-8,14H2,1H3,(H,31,32)/t24-/m1/s1
InChIKeyHLBOHQUREGAXGF-XMMPIXPASA-N
XLogP5.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58920213
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58921621
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58920411
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58920363
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 66934497
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 58921375
1-[1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934315
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]cyclopropanecarboxamide
CID 58921288
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-oxocyclopentane-1-carboxamide
CID 58920434
1-[1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934458
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
cyclopentyl N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]carbamate
CID 58920196

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide (CID 58919922) is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide is COc1ccc(C(F)(F)F)cc1[C@@](Cc1ccccc1)(NC(=O)C1CC1)c1ccc(Cl)cn1.
What is the InChIKey of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide?
The InChIKey is HLBOHQUREGAXGF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22ClF3N2O2/c1-33-21-11-9-18(25(27,28)29)13-20(21)24(31-23(32)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-30-22/h2-6,9-13,15,17H,7-8,14H2,1H3,(H,31,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide?
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide has a molecular weight of 474.91 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 58919922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).