3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide

C19H25Cl2N3O4 — CID 4034372

IUPAC3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)C(C)(C)CCl
InChIInChI=1S/C19H25Cl2N3O4/c1-19(2,12-20)18(27)22(8-9-28-3)10-16(25)23-11-17(26)24(13-23)15-6-4-14(21)5-7-15/h4-7H,8-13H2,1-3H3
InChIKeyVBOMQAARQCTHJV-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.21
Rot. Bonds8

About 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide

3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (PubChem CID 4034372) has the molecular formula C19H25Cl2N3O4 and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
PubChem CID4034372
Molecular FormulaC19H25Cl2N3O4
Molecular Weight430.33 g/mol
Exact Mass429.12
IUPAC Name3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)C(C)(C)CCl
InChIInChI=1S/C19H25Cl2N3O4/c1-19(2,12-20)18(27)22(8-9-28-3)10-16(25)23-11-17(26)24(13-23)15-6-4-14(21)5-7-15/h4-7H,8-13H2,1-3H3
InChIKeyVBOMQAARQCTHJV-UHFFFAOYSA-N
XLogP2.21
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide (CID 4034372) is 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is COCCN(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is VBOMQAARQCTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O4/c1-19(2,12-20)18(27)22(8-9-28-3)10-16(25)23-11-17(26)24(13-23)15-6-4-14(21)5-7-15/h4-7H,8-13H2,1-3H3.
What are the key properties of 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 430.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4034372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).