N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

C20H17ClFN3O3 — CID 50755349

IUPACN-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H17ClFN3O3/c1-13-5-6-15(21)10-17(13)23-18(26)12-25-19(27)7-8-24(20(25)28)11-14-3-2-4-16(22)9-14/h2-10H,11-12H2,1H3,(H,23,26)
InChIKeyHBERAARXQSSUIU-UHFFFAOYSA-N
MW401.83 g/mol
LogP2.80
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (PubChem CID 50755349) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
PubChem CID50755349
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H17ClFN3O3/c1-13-5-6-15(21)10-17(13)23-18(26)12-25-19(27)7-8-24(20(25)28)11-14-3-2-4-16(22)9-14/h2-10H,11-12H2,1H3,(H,23,26)
InChIKeyHBERAARXQSSUIU-UHFFFAOYSA-N
XLogP2.80
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide (CID 50755349) is N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
The InChIKey is HBERAARXQSSUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-13-5-6-15(21)10-17(13)23-18(26)12-25-19(27)7-8-24(20(25)28)11-14-3-2-4-16(22)9-14/h2-10H,11-12H2,1H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide has a molecular weight of 401.83 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 50755349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).