N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide

C25H20ClN3O3 — CID 20896216

IUPACN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C25H20ClN3O3/c1-31-22-13-10-18(14-23(22)32-2)24(30)29-25-27-20(16-6-4-3-5-7-16)15-21(28-25)17-8-11-19(26)12-9-17/h3-15H,1-2H3,(H,27,28,29,30)
InChIKeyMMQCOHIKXZMKMV-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.73
Rot. Bonds6

About N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide

N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide (PubChem CID 20896216) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
PubChem CID20896216
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C25H20ClN3O3/c1-31-22-13-10-18(14-23(22)32-2)24(30)29-25-27-20(16-6-4-3-5-7-16)15-21(28-25)17-8-11-19(26)12-9-17/h3-15H,1-2H3,(H,27,28,29,30)
InChIKeyMMQCOHIKXZMKMV-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-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
3,4-dimethoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 1392021
2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 1350419
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
CID 46269866
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide (CID 20896216) is N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1OC.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is MMQCOHIKXZMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-31-22-13-10-18(14-23(22)32-2)24(30)29-25-27-20(16-6-4-3-5-7-16)15-21(28-25)17-8-11-19(26)12-9-17/h3-15H,1-2H3,(H,27,28,29,30).
What are the key properties of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide?
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide 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-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 20896216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).