N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide

C25H20ClN3O3 — CID 20896247

IUPACN-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-31-20-10-6-16(7-11-20)22-15-23(17-8-12-21(32-2)13-9-17)28-25(27-22)29-24(30)18-4-3-5-19(26)14-18/h3-15H,1-2H3,(H,27,28,29,30)
InChIKeyYQVGFWNQWGZOMN-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.73
Rot. Bonds6

About N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide

N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide (PubChem CID 20896247) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
PubChem CID20896247
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-31-20-10-6-16(7-11-20)22-15-23(17-8-12-21(32-2)13-9-17)28-25(27-22)29-24(30)18-4-3-5-19(26)14-18/h3-15H,1-2H3,(H,27,28,29,30)
InChIKeyYQVGFWNQWGZOMN-UHFFFAOYSA-N
XLogP5.73
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 ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7693026
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
CID 46269868

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide?
The IUPAC name of N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide (CID 20896247) is N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide?
The canonical SMILES for N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide is COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide?
The InChIKey is YQVGFWNQWGZOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-31-20-10-6-16(7-11-20)22-15-23(17-8-12-21(32-2)13-9-17)28-25(27-22)29-24(30)18-4-3-5-19(26)14-18/h3-15H,1-2H3,(H,27,28,29,30).
What are the key properties of N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide?
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide has a molecular weight of 445.91 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide is sourced from PubChem (CID 20896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).