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

C16H20ClN3O3 — CID 2958006

IUPACN-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCCN1C(=O)C(CC(=O)NCc2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-3-19-13(15(22)20(4-2)16(19)23)9-14(21)18-10-11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyOBJFBMMWJFWKPO-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.02
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide (PubChem CID 2958006) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
PubChem CID2958006
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCCN1C(=O)C(CC(=O)NCc2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-3-19-13(15(22)20(4-2)16(19)23)9-14(21)18-10-11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyOBJFBMMWJFWKPO-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide (CID 2958006) is N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide is CCN1C(=O)C(CC(=O)NCc2ccc(Cl)cc2)N(CC)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The InChIKey is OBJFBMMWJFWKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-3-19-13(15(22)20(4-2)16(19)23)9-14(21)18-10-11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide has a molecular weight of 337.81 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 2958006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).