N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide

C27H25ClFN3O3 — CID 126479616

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2C(=O)CN(CC(=O)NCc3ccccc3Cl)C(=O)C2c2ccccc2F)cc1
InChIInChI=1S/C27H25ClFN3O3/c1-18-10-12-19(13-11-18)15-32-25(34)17-31(27(35)26(32)21-7-3-5-9-23(21)29)16-24(33)30-14-20-6-2-4-8-22(20)28/h2-13,26H,14-17H2,1H3,(H,30,33)
InChIKeyUADSOUOXZQDCSH-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.02
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide (PubChem CID 126479616) has the molecular formula C27H25ClFN3O3 and a molecular weight of 493.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
PubChem CID126479616
Molecular FormulaC27H25ClFN3O3
Molecular Weight493.97 g/mol
Exact Mass493.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2C(=O)CN(CC(=O)NCc3ccccc3Cl)C(=O)C2c2ccccc2F)cc1
InChIInChI=1S/C27H25ClFN3O3/c1-18-10-12-19(13-11-18)15-32-25(34)17-31(27(35)26(32)21-7-3-5-9-23(21)29)16-24(33)30-14-20-6-2-4-8-22(20)28/h2-13,26H,14-17H2,1H3,(H,30,33)
InChIKeyUADSOUOXZQDCSH-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
CID 126479462
2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 5012842
N-(2,3-dimethylcyclohexyl)-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
CID 126479477
N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 5144579
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide (CID 126479616) is N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide is Cc1ccc(CN2C(=O)CN(CC(=O)NCc3ccccc3Cl)C(=O)C2c2ccccc2F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide?
The InChIKey is UADSOUOXZQDCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O3/c1-18-10-12-19(13-11-18)15-32-25(34)17-31(27(35)26(32)21-7-3-5-9-23(21)29)16-24(33)30-14-20-6-2-4-8-22(20)28/h2-13,26H,14-17H2,1H3,(H,30,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide has a molecular weight of 493.97 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 126479616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).