N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

C25H20ClN3O3 — CID 46386407

IUPACN-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-16-3-8-19(15-22(16)26)28-25(30)18-6-4-17(5-7-18)24-27-14-13-23(29-24)32-21-11-9-20(31-2)10-12-21/h3-15H,1-2H3,(H,28,30)
InChIKeyXBGRXLOBAPXFPO-UHFFFAOYSA-N
MW445.91 g/mol
LogP6.16
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386407) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386407
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-16-3-8-19(15-22(16)26)28-25(30)18-6-4-17(5-7-18)24-27-14-13-23(29-24)32-21-11-9-20(31-2)10-12-21/h3-15H,1-2H3,(H,28,30)
InChIKeyXBGRXLOBAPXFPO-UHFFFAOYSA-N
XLogP6.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386407) is N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is XBGRXLOBAPXFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-16-3-8-19(15-22(16)26)28-25(30)18-6-4-17(5-7-18)24-27-14-13-23(29-24)32-21-11-9-20(31-2)10-12-21/h3-15H,1-2H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).