2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C22H17ClFN3O4 — CID 17118493

IUPAC2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17ClFN3O4/c23-14-3-9-17(10-4-14)27-21(29)19(26(22(27)30)13-18-2-1-11-31-18)12-20(28)25-16-7-5-15(24)6-8-16/h1-11,19H,12-13H2,(H,25,28)
InChIKeySQAJLQHLCLYURW-UHFFFAOYSA-N
MW441.85 g/mol
LogP4.44
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 17118493) has the molecular formula C22H17ClFN3O4 and a molecular weight of 441.85 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID17118493
Molecular FormulaC22H17ClFN3O4
Molecular Weight441.85 g/mol
Exact Mass441.09
IUPAC Name2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17ClFN3O4/c23-14-3-9-17(10-4-14)27-21(29)19(26(22(27)30)13-18-2-1-11-31-18)12-20(28)25-16-7-5-15(24)6-8-16/h1-11,19H,12-13H2,(H,25,28)
InChIKeySQAJLQHLCLYURW-UHFFFAOYSA-N
XLogP4.44
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28873979
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774523
2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 28776976
2-[(4R)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40774510
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92666411
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 1303497
2-[(4S)-3-(furan-2-ylmethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7340934
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 17118474
N-(3,5-dimethoxyphenyl)-2-[(4R)-3-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284981
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
CID 4918768

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 17118493) is 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SQAJLQHLCLYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O4/c23-14-3-9-17(10-4-14)27-21(29)19(26(22(27)30)13-18-2-1-11-31-18)12-20(28)25-16-7-5-15(24)6-8-16/h1-11,19H,12-13H2,(H,25,28).
What are the key properties of 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 441.85 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17118493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).