1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C23H23ClFN5O4 — CID 177250754

IUPAC1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C23H23ClFN5O4/c24-14-1-7-18(8-2-14)30-21(32)19(28-23(30)34)9-10-20(31)29-12-11-17(13-29)27-22(33)26-16-5-3-15(25)4-6-16/h1-8,17,19H,9-13H2,(H,28,34)(H2,26,27,33)/t17-,19-/m1/s1
InChIKeyHJVZTQZCLAPQRT-IEBWSBKVSA-N
MW487.92 g/mol
LogP3.11
Rot. Bonds6

About 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 177250754) has the molecular formula C23H23ClFN5O4 and a molecular weight of 487.92 g/mol. Its IUPAC name is 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID177250754
Molecular FormulaC23H23ClFN5O4
Molecular Weight487.92 g/mol
Exact Mass487.14
IUPAC Name1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C23H23ClFN5O4/c24-14-1-7-18(8-2-14)30-21(32)19(28-23(30)34)9-10-20(31)29-12-11-17(13-29)27-22(33)26-16-5-3-15(25)4-6-16/h1-8,17,19H,9-13H2,(H,28,34)(H2,26,27,33)/t17-,19-/m1/s1
InChIKeyHJVZTQZCLAPQRT-IEBWSBKVSA-N
XLogP3.11
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
CID 95289565
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 166331717
(5S)-5-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 124699464
3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 154839202
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 177250754) is 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1.
What is the InChIKey of 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is HJVZTQZCLAPQRT-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H23ClFN5O4/c24-14-1-7-18(8-2-14)30-21(32)19(28-23(30)34)9-10-20(31)29-12-11-17(13-29)27-22(33)26-16-5-3-15(25)4-6-16/h1-8,17,19H,9-13H2,(H,28,34)(H2,26,27,33)/t17-,19-/m1/s1.
What are the key properties of 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 487.92 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 177250754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).