N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide

C25H21N3O3 — CID 46386504

IUPACN-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1
InChIInChI=1S/C25H21N3O3/c1-30-21-13-7-18(8-14-21)17-27-25(29)20-11-9-19(10-12-20)24-26-16-15-23(28-24)31-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,27,29)
InChIKeyZEGGMVSIAMHTKA-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.87
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide

N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide (PubChem CID 46386504) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
PubChem CID46386504
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1
InChIInChI=1S/C25H21N3O3/c1-30-21-13-7-18(8-14-21)17-27-25(29)20-11-9-19(10-12-20)24-26-16-15-23(28-24)31-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,27,29)
InChIKeyZEGGMVSIAMHTKA-UHFFFAOYSA-N
XLogP4.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-[(2,5-dimethoxyphenyl)methyl]-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53011487
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide (CID 46386504) is N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide is COc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide?
The InChIKey is ZEGGMVSIAMHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-21-13-7-18(8-14-21)17-27-25(29)20-11-9-19(10-12-20)24-26-16-15-23(28-24)31-22-5-3-2-4-6-22/h2-16H,17H2,1H3,(H,27,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide?
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide is sourced from PubChem (CID 46386504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).