N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide

C20H18ClN3O2 — CID 30936012

IUPACN-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C20H18ClN3O2/c1-23(12-15-5-3-2-4-6-15)20(26)13-24-14-22-18(11-19(24)25)16-7-9-17(21)10-8-16/h2-11,14H,12-13H2,1H3
InChIKeyZVIWGWVILYEUIS-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.22
Rot. Bonds5

About N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide

N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide (PubChem CID 30936012) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
PubChem CID30936012
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C20H18ClN3O2/c1-23(12-15-5-3-2-4-6-15)20(26)13-24-14-22-18(11-19(24)25)16-7-9-17(21)10-8-16/h2-11,14H,12-13H2,1H3
InChIKeyZVIWGWVILYEUIS-UHFFFAOYSA-N
XLogP3.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064379
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
ethyl 2-[[2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 30935895
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-chlorophenyl)pyrimidin-4-one
CID 30935960
N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
CID 75508724
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730
N-benzyl-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 40842357

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide (CID 30936012) is N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide?
The InChIKey is ZVIWGWVILYEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-23(12-15-5-3-2-4-6-15)20(26)13-24-14-22-18(11-19(24)25)16-7-9-17(21)10-8-16/h2-11,14H,12-13H2,1H3.
What are the key properties of N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide has a molecular weight of 367.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 30936012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).