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

C22H17F2N3O4 — CID 28873979

IUPACN-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O4/c23-14-3-7-16(8-4-14)25-20(28)12-19-21(29)27(17-9-5-15(24)6-10-17)22(30)26(19)13-18-2-1-11-31-18/h1-11,19H,12-13H2,(H,25,28)/t19-/m0/s1
InChIKeyPRPYNCSQHQKVSN-IBGZPJMESA-N
MW425.39 g/mol
LogP3.92
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 28873979) has the molecular formula C22H17F2N3O4 and a molecular weight of 425.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID28873979
Molecular FormulaC22H17F2N3O4
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC NameN-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O4/c23-14-3-7-16(8-4-14)25-20(28)12-19-21(29)27(17-9-5-15(24)6-10-17)22(30)26(19)13-18-2-1-11-31-18/h1-11,19H,12-13H2,(H,25,28)/t19-/m0/s1
InChIKeyPRPYNCSQHQKVSN-IBGZPJMESA-N
XLogP3.92
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.92
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

2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 17118493
2-[(4R)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40774510
2-[(4S)-3-(furan-2-ylmethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7340934
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
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
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
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92666411
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775847

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 28873979) is N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is PRPYNCSQHQKVSN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17F2N3O4/c23-14-3-7-16(8-4-14)25-20(28)12-19-21(29)27(17-9-5-15(24)6-10-17)22(30)26(19)13-18-2-1-11-31-18/h1-11,19H,12-13H2,(H,25,28)/t19-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 425.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 28873979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).