2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide

C14H15Cl2N3O3 — CID 91642461

IUPAC2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1C(=O)CNC1=O
InChIInChI=1S/C14H15Cl2N3O3/c15-10-3-2-9(6-11(10)16)7-12(20)17-4-1-5-19-13(21)8-18-14(19)22/h2-3,6H,1,4-5,7-8H2,(H,17,20)(H,18,22)
InChIKeyLRVNWXGWVATLIQ-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.59
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide

2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide (PubChem CID 91642461) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
PubChem CID91642461
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1C(=O)CNC1=O
InChIInChI=1S/C14H15Cl2N3O3/c15-10-3-2-9(6-11(10)16)7-12(20)17-4-1-5-19-13(21)8-18-14(19)22/h2-3,6H,1,4-5,7-8H2,(H,17,20)(H,18,22)
InChIKeyLRVNWXGWVATLIQ-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783
3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
CID 99797531

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide (CID 91642461) is 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1C(=O)CNC1=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide?
The InChIKey is LRVNWXGWVATLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c15-10-3-2-9(6-11(10)16)7-12(20)17-4-1-5-19-13(21)8-18-14(19)22/h2-3,6H,1,4-5,7-8H2,(H,17,20)(H,18,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide?
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide has a molecular weight of 344.20 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 91642461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).