N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide

C20H18FN3O2 — CID 122262878

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H18FN3O2/c1-14-3-2-4-18(9-14)26-12-20(25)22-11-17-10-19(24-13-23-17)15-5-7-16(21)8-6-15/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyGCBQYPOFAURZMM-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.29
Rot. Bonds6

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 122262878) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
PubChem CID122262878
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H18FN3O2/c1-14-3-2-4-18(9-14)26-12-20(25)22-11-17-10-19(24-13-23-17)15-5-7-16(21)8-6-15/h2-10,13H,11-12H2,1H3,(H,22,25)
InChIKeyGCBQYPOFAURZMM-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16866920
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-(2-methoxyphenoxy)acetamide
CID 122262877
2-(1,3-benzodioxol-5-yloxy)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262846
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 110661712
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide (CID 122262878) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)ncn2)c1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is GCBQYPOFAURZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-3-2-4-18(9-14)26-12-20(25)22-11-17-10-19(24-13-23-17)15-5-7-16(21)8-6-15/h2-10,13H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 122262878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).