2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide

C20H18FN3O2 — CID 122262243

IUPAC2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-8-4-15(5-9-18)19-11-17(23-13-24-19)12-22-20(25)10-14-2-6-16(21)7-3-14/h2-9,11,13H,10,12H2,1H3,(H,22,25)
InChIKeyLSYZYVCAPWUMIE-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (PubChem CID 122262243) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
PubChem CID122262243
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-8-4-15(5-9-18)19-11-17(23-13-24-19)12-22-20(25)10-14-2-6-16(21)7-3-14/h2-9,11,13H,10,12H2,1H3,(H,22,25)
InChIKeyLSYZYVCAPWUMIE-UHFFFAOYSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (CID 122262243) is 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(=O)Cc3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is LSYZYVCAPWUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-18-8-4-15(5-9-18)19-11-17(23-13-24-19)12-22-20(25)10-14-2-6-16(21)7-3-14/h2-9,11,13H,10,12H2,1H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122262243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).