2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide

C24H22FN3O4 — CID 124847066

IUPAC2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C24H22FN3O4/c25-17-10-8-16(9-11-17)19(21-7-4-14-32-21)12-13-26-22(29)15-20-23(30)28(24(31)27-20)18-5-2-1-3-6-18/h1-11,14,19-20H,12-13,15H2,(H,26,29)(H,27,31)/t19-,20-/m0/s1
InChIKeyJZLAYPYOXBEPPF-PMACEKPBSA-N
MW435.46 g/mol
LogP3.57
Rot. Bonds8

About 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide

2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide (PubChem CID 124847066) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
PubChem CID124847066
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C24H22FN3O4/c25-17-10-8-16(9-11-17)19(21-7-4-14-32-21)12-13-26-22(29)15-20-23(30)28(24(31)27-20)18-5-2-1-3-6-18/h1-11,14,19-20H,12-13,15H2,(H,26,29)(H,27,31)/t19-,20-/m0/s1
InChIKeyJZLAYPYOXBEPPF-PMACEKPBSA-N
XLogP3.57
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823488
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]propanamide
CID 91822197
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide
CID 45221830
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
CID 131949654
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide
CID 51903118
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-(8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45210724
N-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 110207549
N-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 118986163
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide (CID 124847066) is 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide is O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide?
The InChIKey is JZLAYPYOXBEPPF-PMACEKPBSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-17-10-8-16(9-11-17)19(21-7-4-14-32-21)12-13-26-22(29)15-20-23(30)28(24(31)27-20)18-5-2-1-3-6-18/h1-11,14,19-20H,12-13,15H2,(H,26,29)(H,27,31)/t19-,20-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide?
2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide is sourced from PubChem (CID 124847066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).