N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide

C24H18ClN3O2 — CID 20896243

IUPACN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-30-20-13-9-17(10-14-20)22-15-21(16-7-11-19(25)12-8-16)26-24(27-22)28-23(29)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27,28,29)
InChIKeyKOCKVCGMWNBNNF-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.72
Rot. Bonds5

About N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide (PubChem CID 20896243) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
PubChem CID20896243
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-30-20-13-9-17(10-14-20)22-15-21(16-7-11-19(25)12-8-16)26-24(27-22)28-23(29)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27,28,29)
InChIKeyKOCKVCGMWNBNNF-UHFFFAOYSA-N
XLogP5.72
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 ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
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
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927396
N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508722
4-chloro-N-[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 142448268

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide (CID 20896243) is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide?
The InChIKey is KOCKVCGMWNBNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-30-20-13-9-17(10-14-20)22-15-21(16-7-11-19(25)12-8-16)26-24(27-22)28-23(29)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27,28,29).
What are the key properties of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide?
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide has a molecular weight of 415.88 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 20896243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).