N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

C26H23N3O3 — CID 46386406

IUPACN-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-17-14-18(2)16-21(15-17)28-26(30)20-6-4-19(5-7-20)25-27-13-12-24(29-25)32-23-10-8-22(31-3)9-11-23/h4-16H,1-3H3,(H,28,30)
InChIKeyKTLZSLCIUQRDJI-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.81
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386406) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386406
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H23N3O3/c1-17-14-18(2)16-21(15-17)28-26(30)20-6-4-19(5-7-20)25-27-13-12-24(29-25)32-23-10-8-22(31-3)9-11-23/h4-16H,1-3H3,(H,28,30)
InChIKeyKTLZSLCIUQRDJI-UHFFFAOYSA-N
XLogP5.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386406) is N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is KTLZSLCIUQRDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-14-18(2)16-21(15-17)28-26(30)20-6-4-19(5-7-20)25-27-13-12-24(29-25)32-23-10-8-22(31-3)9-11-23/h4-16H,1-3H3,(H,28,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).