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

C17H14Cl2N4O3 — CID 8011862

IUPAC2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O
InChIInChI=1S/C17H14Cl2N4O3/c1-17(10-5-2-3-6-11(10)18)15(25)23(16(26)22-17)9-13(24)21-12-7-4-8-20-14(12)19/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyVTQNSYGLHQVSEH-KRWDZBQOSA-N
MW393.23 g/mol
LogP2.79
Rot. Bonds4

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

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 8011862) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID8011862
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O
InChIInChI=1S/C17H14Cl2N4O3/c1-17(10-5-2-3-6-11(10)18)15(25)23(16(26)22-17)9-13(24)21-12-7-4-8-20-14(12)19/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyVTQNSYGLHQVSEH-KRWDZBQOSA-N
XLogP2.79
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 52.79
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

N-(2-chloro-3-pyridinyl)-2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46638569
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7180535
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2435702
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181002
ethyl 2-[[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 2702268
N-benzyl-2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41236353
N-(2-chlorophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180066
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 8011862) is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is VTQNSYGLHQVSEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c1-17(10-5-2-3-6-11(10)18)15(25)23(16(26)22-17)9-13(24)21-12-7-4-8-20-14(12)19/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 393.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 8011862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).