N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C17H13Cl3N4O3 — CID 46638569

IUPACN-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O
InChIInChI=1S/C17H13Cl3N4O3/c1-17(9-4-5-10(18)11(19)7-9)15(26)24(16(27)23-17)8-13(25)22-12-3-2-6-21-14(12)20/h2-7H,8H2,1H3,(H,22,25)(H,23,27)
InChIKeyIIISZWNRRPIYRA-UHFFFAOYSA-N
MW427.68 g/mol
LogP3.45
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46638569) has the molecular formula C17H13Cl3N4O3 and a molecular weight of 427.68 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46638569
Molecular FormulaC17H13Cl3N4O3
Molecular Weight427.68 g/mol
Exact Mass426.01
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O
InChIInChI=1S/C17H13Cl3N4O3/c1-17(9-4-5-10(18)11(19)7-9)15(26)24(16(27)23-17)8-13(25)22-12-3-2-6-21-14(12)20/h2-7H,8H2,1H3,(H,22,25)(H,23,27)
InChIKeyIIISZWNRRPIYRA-UHFFFAOYSA-N
XLogP3.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24819931
N-(2-chloro-3-pyridinyl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962023
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 8011862
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
N-(2-chloro-3-pyridinyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181002
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
N-(2-chlorophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962311
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 43016717

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46638569) is N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is IIISZWNRRPIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N4O3/c1-17(9-4-5-10(18)11(19)7-9)15(26)24(16(27)23-17)8-13(25)22-12-3-2-6-21-14(12)20/h2-7H,8H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 427.68 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46638569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).