N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

C25H20FN3O3 — CID 53011044

IUPACN-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C25H20FN3O3/c1-31-22-7-2-3-8-23(22)32-24-14-21(28-16-29-24)18-5-4-6-19(13-18)25(30)27-15-17-9-11-20(26)12-10-17/h2-14,16H,15H2,1H3,(H,27,30)
InChIKeyVNEUGMXUKKXFQF-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.01
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53011044) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53011044
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C25H20FN3O3/c1-31-22-7-2-3-8-23(22)32-24-14-21(28-16-29-24)18-5-4-6-19(13-18)25(30)27-15-17-9-11-20(26)12-10-17/h2-14,16H,15H2,1H3,(H,27,30)
InChIKeyVNEUGMXUKKXFQF-UHFFFAOYSA-N
XLogP5.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide 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-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53011044) is N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is VNEUGMXUKKXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-31-22-7-2-3-8-23(22)32-24-14-21(28-16-29-24)18-5-4-6-19(13-18)25(30)27-15-17-9-11-20(26)12-10-17/h2-14,16H,15H2,1H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 429.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).