N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H21F3N2O3 — CID 55659774

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-3-9-17(11-15)27-13-18(26)25-12-14-5-4-10-24-19(14)28-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H,25,26)
InChIKeyMNDGMEYIEOARRX-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.12
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55659774) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID55659774
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-3-9-17(11-15)27-13-18(26)25-12-14-5-4-10-24-19(14)28-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H,25,26)
InChIKeyMNDGMEYIEOARRX-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958593
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 55659774) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MNDGMEYIEOARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-3-9-17(11-15)27-13-18(26)25-12-14-5-4-10-24-19(14)28-16-7-1-2-8-16/h3-6,9-11,16H,1-2,7-8,12-13H2,(H,25,26).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 394.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55659774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).