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

C19H18ClN3O4 — CID 131933675

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1C(=O)NC(C)C1=O
InChIInChI=1S/C19H18ClN3O4/c1-11-9-13(20)7-8-16(11)27-10-17(24)22-14-5-3-4-6-15(14)23-18(25)12(2)21-19(23)26/h3-9,12H,10H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyHKBSNBJXMSSNDR-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.11
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide (PubChem CID 131933675) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide
PubChem CID131933675
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1C(=O)NC(C)C1=O
InChIInChI=1S/C19H18ClN3O4/c1-11-9-13(20)7-8-16(11)27-10-17(24)22-14-5-3-4-6-15(14)23-18(25)12(2)21-19(23)26/h3-9,12H,10H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyHKBSNBJXMSSNDR-UHFFFAOYSA-N
XLogP3.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.11
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

2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074239
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 155923420
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide (CID 131933675) is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1C(=O)NC(C)C1=O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide?
The InChIKey is HKBSNBJXMSSNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11-9-13(20)7-8-16(11)27-10-17(24)22-14-5-3-4-6-15(14)23-18(25)12(2)21-19(23)26/h3-9,12H,10H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide has a molecular weight of 387.82 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 131933675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).