N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C26H24F4N2O2 — CID 140682539

IUPACN-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)ccc(C(F)(F)F)c1[C@@H](C)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C26H24F4N2O2/c1-15(22-11-9-19(13-31-22)34-14-18-5-3-4-6-21(18)27)24-16(2)23(32-25(33)17-7-8-17)12-10-20(24)26(28,29)30/h3-6,9-13,15,17H,7-8,14H2,1-2H3,(H,32,33)/t15-/m0/s1
InChIKeyGCCXHVXJZNDTMT-HNNXBMFYSA-N
MW472.48 g/mol
LogP6.63
Rot. Bonds7

About N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 140682539) has the molecular formula C26H24F4N2O2 and a molecular weight of 472.48 g/mol. Its IUPAC name is N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID140682539
Molecular FormulaC26H24F4N2O2
Molecular Weight472.48 g/mol
Exact Mass472.18
IUPAC NameN-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)ccc(C(F)(F)F)c1[C@@H](C)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C26H24F4N2O2/c1-15(22-11-9-19(13-31-22)34-14-18-5-3-4-6-21(18)27)24-16(2)23(32-25(33)17-7-8-17)12-10-20(24)26(28,29)30/h3-6,9-13,15,17H,7-8,14H2,1-2H3,(H,32,33)/t15-/m0/s1
InChIKeyGCCXHVXJZNDTMT-HNNXBMFYSA-N
XLogP6.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 16731843
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76071870
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 44353994
5,11-Dihydro-10-oxa-1-aza-dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10363625
N-[4-(2-Pyridinylmethoxy)phenyl]-5-methyl-6-(trifluoromethyl)indoline-1-carboxamide
CID 44214723
N-(4-tert-butylphenyl)-4-(3-propoxypyridin-2-yl)benzamide
CID 44416971
N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76070929
US10155760, Example 133
CID 129279962
US10544120, Example 73
CID 145743369
(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline
CID 11047249
N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 127048198
N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 127052915

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 140682539) is N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide is Cc1c(NC(=O)C2CC2)ccc(C(F)(F)F)c1[C@@H](C)c1ccc(OCc2ccccc2F)cn1.
What is the InChIKey of N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is GCCXHVXJZNDTMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H24F4N2O2/c1-15(22-11-9-19(13-31-22)34-14-18-5-3-4-6-21(18)27)24-16(2)23(32-25(33)17-7-8-17)12-10-20(24)26(28,29)30/h3-6,9-13,15,17H,7-8,14H2,1-2H3,(H,32,33)/t15-/m0/s1.
What are the key properties of N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 472.48 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-methyl-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 140682539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).