N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H14Cl2N4O3 — CID 4537106

IUPACN-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O
InChIInChI=1S/C19H14Cl2N4O3/c1-19(12-3-6-13(20)7-4-12)17(27)25(18(28)24-19)10-16(26)23-15-8-14(21)5-2-11(15)9-22/h2-8H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyOOWCPUYTLARHTA-UHFFFAOYSA-N
MW417.25 g/mol
LogP3.27
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4537106) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4537106
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O
InChIInChI=1S/C19H14Cl2N4O3/c1-19(12-3-6-13(20)7-4-12)17(27)25(18(28)24-19)10-16(26)23-15-8-14(21)5-2-11(15)9-22/h2-8H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyOOWCPUYTLARHTA-UHFFFAOYSA-N
XLogP3.27
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3625247
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2570395
N-(5-chloro-2-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181672
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4537106) is N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OOWCPUYTLARHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c1-19(12-3-6-13(20)7-4-12)17(27)25(18(28)24-19)10-16(26)23-15-8-14(21)5-2-11(15)9-22/h2-8H,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4537106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).