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

C23H20ClN3O5 — CID 28776976

IUPAC2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H20ClN3O5/c1-31-18-10-6-16(7-11-18)25-21(28)13-20-22(29)27(17-8-4-15(24)5-9-17)23(30)26(20)14-19-3-2-12-32-19/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyXMIJKWZHSWMUIL-FQEVSTJZSA-N
MW453.88 g/mol
LogP4.31
Rot. Bonds7

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

2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 28776976) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID28776976
Molecular FormulaC23H20ClN3O5
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC Name2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H20ClN3O5/c1-31-18-10-6-16(7-11-18)25-21(28)13-20-22(29)27(17-8-4-15(24)5-9-17)23(30)26(20)14-19-3-2-12-32-19/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyXMIJKWZHSWMUIL-FQEVSTJZSA-N
XLogP4.31
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774523
2-[(4R)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40774510
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
2-[3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 5023637
2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 17118493
N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28873979
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
2-[(4S)-3-(furan-2-ylmethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7340934
N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284978
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 28776976) is 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XMIJKWZHSWMUIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-31-18-10-6-16(7-11-18)25-21(28)13-20-22(29)27(17-8-4-15(24)5-9-17)23(30)26(20)14-19-3-2-12-32-19/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 453.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 28776976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).