N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

About N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 118957462) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name	N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID	118957462
Molecular Formula	C25H26FN3O3
Molecular Weight	435.50 g/mol
Exact Mass	435.20
IUPAC Name	N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILES	C[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChI	InChI=1S/C25H26FN3O3/c1-16(18-8-9-18)28(14-17-6-10-20(26)11-7-17)22(30)15-29-23(31)25(27-24(29)32)13-12-19-4-2-3-5-21(19)25/h2-7,10-11,16,18H,8-9,12-15H2,1H3,(H,27,32)/t16-,25-/m0/s1
InChIKey	QKFCRFYHYPESDZ-LMKMVOKYSA-N
XLogP	3.35
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 118957462) is N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is C[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.

What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is QKFCRFYHYPESDZ-LMKMVOKYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-16(18-8-9-18)28(14-17-6-10-20(26)11-7-17)22(30)15-29-23(31)25(27-24(29)32)13-12-19-4-2-3-5-21(19)25/h2-7,10-11,16,18H,8-9,12-15H2,1H3,(H,27,32)/t16-,25-/m0/s1.

What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 118957462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).