N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

C24H18ClN3O2 — CID 46388831

IUPACN-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-16-5-7-17(8-6-16)23-26-14-13-22(28-23)30-21-4-2-3-18(15-21)24(29)27-20-11-9-19(25)10-12-20/h2-15H,1H3,(H,27,29)
InChIKeyYJRVKUOLAKZLBK-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.15
Rot. Bonds5

About N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 46388831) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID46388831
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-16-5-7-17(8-6-16)23-26-14-13-22(28-23)30-21-4-2-3-18(15-21)24(29)27-20-11-9-19(25)10-12-20/h2-15H,1H3,(H,27,29)
InChIKeyYJRVKUOLAKZLBK-UHFFFAOYSA-N
XLogP6.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(4-methylphenyl)-3-pyrido[2,3-b]pyrazin-6-yloxybenzamide
CID 133301621
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
2-(4-chlorophenyl)-N-(3-pyrimidin-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 166208502

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (CID 46388831) is N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is YJRVKUOLAKZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-16-5-7-17(8-6-16)23-26-14-13-22(28-23)30-21-4-2-3-18(15-21)24(29)27-20-11-9-19(25)10-12-20/h2-15H,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 415.88 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 46388831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).