2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

C21H18F2N2O3 — CID 70695166

IUPAC2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CN(C(=O)CF)c1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C21H18F2N2O3/c1-27-21-15(6-5-11-24-21)14-25(20(26)13-22)18-12-16(23)9-10-19(18)28-17-7-3-2-4-8-17/h2-12H,13-14H2,1H3
InChIKeyUOIKSSALNANDCC-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.52
Rot. Bonds7

About 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 70695166) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID70695166
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CN(C(=O)CF)c1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C21H18F2N2O3/c1-27-21-15(6-5-11-24-21)14-25(20(26)13-22)18-12-16(23)9-10-19(18)28-17-7-3-2-4-8-17/h2-12H,13-14H2,1H3
InChIKeyUOIKSSALNANDCC-UHFFFAOYSA-N
XLogP4.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
N-(6-fluoro-4-phenoxypyridin-3-yl)-N-(2-methoxybenzyl)acetamide
CID 56671767
N-[2-(2,4-difluorophenoxy)pyridin-3-yl]-2-methylacrylamide
CID 2800710
N1-[2-(2-fluorophenoxy)-3-pyridyl]-3-phenylacrylamide
CID 5712983
(2E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-pyridyl)prop-2-enamide
CID 7481152
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (CID 70695166) is 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is COc1ncccc1CN(C(=O)CF)c1cc(F)ccc1Oc1ccccc1.
What is the InChIKey of 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is UOIKSSALNANDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-27-21-15(6-5-11-24-21)14-25(20(26)13-22)18-12-16(23)9-10-19(18)28-17-7-3-2-4-8-17/h2-12H,13-14H2,1H3.
What are the key properties of 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 384.38 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 70695166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).