2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide

C21H18F2N2O2 — CID 171787172

IUPAC2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccnc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H18F2N2O2/c22-18-5-1-3-15(9-18)11-20(26)25-13-16-7-8-24-21(12-16)27-14-17-4-2-6-19(23)10-17/h1-10,12H,11,13-14H2,(H,25,26)
InChIKeyPLCDWBYVILNZRW-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.80
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide

2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide (PubChem CID 171787172) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
PubChem CID171787172
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccnc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H18F2N2O2/c22-18-5-1-3-15(9-18)11-20(26)25-13-16-7-8-24-21(12-16)27-14-17-4-2-6-19(23)10-17/h1-10,12H,11,13-14H2,(H,25,26)
InChIKeyPLCDWBYVILNZRW-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide
CID 171787042
CID 171787113
CID 171787113
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
2-(3-fluorophenyl)-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]acetamide
CID 55791258
4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
CID 124928542
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide (CID 171787172) is 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCc1ccnc(OCc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide?
The InChIKey is PLCDWBYVILNZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-18-5-1-3-15(9-18)11-20(26)25-13-16-7-8-24-21(12-16)27-14-17-4-2-6-19(23)10-17/h1-10,12H,11,13-14H2,(H,25,26).
What are the key properties of 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide has a molecular weight of 368.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171787172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).