2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

C15H16ClN3O3 — CID 29401904

IUPAC2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H16ClN3O3/c1-3-8-17-13(20)9-18-14(21)10(2)19(15(18)22)12-6-4-11(16)5-7-12/h3-7,10H,1,8-9H2,2H3,(H,17,20)/t10-/m1/s1
InChIKeyTZMCOQOPSNZBNN-SNVBAGLBSA-N
MW321.76 g/mol
LogP1.80
Rot. Bonds5

About 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 29401904) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID29401904
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H16ClN3O3/c1-3-8-17-13(20)9-18-14(21)10(2)19(15(18)22)12-6-4-11(16)5-7-12/h3-7,10H,1,8-9H2,2H3,(H,17,20)/t10-/m1/s1
InChIKeyTZMCOQOPSNZBNN-SNVBAGLBSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (CID 29401904) is 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is TZMCOQOPSNZBNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-3-8-17-13(20)9-18-14(21)10(2)19(15(18)22)12-6-4-11(16)5-7-12/h3-7,10H,1,8-9H2,2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 321.76 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 29401904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).