2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide

C24H30ClFN4O2 — CID 50744097

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O)c1cccc(C)c1
InChIInChI=1S/C24H30ClFN4O2/c1-3-28(21-7-4-6-18(2)14-21)11-5-10-27-23(31)17-30-13-12-29(24(30)32)16-19-8-9-20(26)15-22(19)25/h4,6-9,14-15H,3,5,10-13,16-17H2,1-2H3,(H,27,31)
InChIKeyGBMAMBNQQCCRIP-UHFFFAOYSA-N
MW460.98 g/mol
LogP4.06
Rot. Bonds10

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide (PubChem CID 50744097) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide
PubChem CID50744097
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O)c1cccc(C)c1
InChIInChI=1S/C24H30ClFN4O2/c1-3-28(21-7-4-6-18(2)14-21)11-5-10-27-23(31)17-30-13-12-29(24(30)32)16-19-8-9-20(26)15-22(19)25/h4,6-9,14-15H,3,5,10-13,16-17H2,1-2H3,(H,27,31)
InChIKeyGBMAMBNQQCCRIP-UHFFFAOYSA-N
XLogP4.06
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide (CID 50744097) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide is CCN(CCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O)c1cccc(C)c1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide?
The InChIKey is GBMAMBNQQCCRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O2/c1-3-28(21-7-4-6-18(2)14-21)11-5-10-27-23(31)17-30-13-12-29(24(30)32)16-19-8-9-20(26)15-22(19)25/h4,6-9,14-15H,3,5,10-13,16-17H2,1-2H3,(H,27,31).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide has a molecular weight of 460.98 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide is sourced from PubChem (CID 50744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).