ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide

C19H22F4N2O2 — CID 171787042

IUPACethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide
SMILESCC.O=C(Cc1cccc(F)c1)NCc1ccnc(OCCC(F)(F)F)c1
InChIInChI=1S/C17H16F4N2O2.C2H6/c18-14-3-1-2-12(8-14)9-15(24)23-11-13-4-6-22-16(10-13)25-7-5-17(19,20)21;1-2/h1-4,6,8,10H,5,7,9,11H2,(H,23,24);1-2H3
InChIKeyNZARGASEWYTMGF-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.44
Rot. Bonds7

About ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide

ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 171787042) has the molecular formula C19H22F4N2O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Nameethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide
PubChem CID171787042
Molecular FormulaC19H22F4N2O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC Nameethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide
SMILESCC.O=C(Cc1cccc(F)c1)NCc1ccnc(OCCC(F)(F)F)c1
InChIInChI=1S/C17H16F4N2O2.C2H6/c18-14-3-1-2-12(8-14)9-15(24)23-11-13-4-6-22-16(10-13)25-7-5-17(19,20)21;1-2/h1-4,6,8,10H,5,7,9,11H2,(H,23,24);1-2H3
InChIKeyNZARGASEWYTMGF-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
CID 171787113
CID 171787113
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
tert-butyl N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]carbamate;[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methanamine;hydrochloride
CID 157363354
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-(3-fluorophenyl)-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]acetamide
CID 55791258
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039451
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide (CID 171787042) is ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide is CC.O=C(Cc1cccc(F)c1)NCc1ccnc(OCCC(F)(F)F)c1.
What is the InChIKey of ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is NZARGASEWYTMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2.C2H6/c18-14-3-1-2-12(8-14)9-15(24)23-11-13-4-6-22-16(10-13)25-7-5-17(19,20)21;1-2/h1-4,6,8,10H,5,7,9,11H2,(H,23,24);1-2H3.
What are the key properties of ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide?
ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 386.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171787042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).