N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

C27H30FN3O3 — CID 40843146

IUPACN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C27H30FN3O3/c28-21-14-12-19(13-15-21)17-30(22-9-2-1-3-10-22)24(32)18-31-25(33)27(29-26(31)34)16-6-8-20-7-4-5-11-23(20)27/h4-5,7,11-15,22H,1-3,6,8-10,16-18H2,(H,29,34)/t27-/m1/s1
InChIKeyONQHEZQOIKTIEO-HHHXNRCGSA-N
MW463.55 g/mol
LogP4.27
Rot. Bonds5

About N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 40843146) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID40843146
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C27H30FN3O3/c28-21-14-12-19(13-15-21)17-30(22-9-2-1-3-10-22)24(32)18-31-25(33)27(29-26(31)34)16-6-8-20-7-4-5-11-23(20)27/h4-5,7,11-15,22H,1-3,6,8-10,16-18H2,(H,29,34)/t27-/m1/s1
InChIKeyONQHEZQOIKTIEO-HHHXNRCGSA-N
XLogP4.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 17390409
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 41179879
N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47499465
N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957462
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 17419101
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956996
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-[4-[[2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-[(4-fluorophenyl)methyl]amino]cyclohexylidene]acetic acid
CID 118957283

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 40843146) is N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ONQHEZQOIKTIEO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30FN3O3/c28-21-14-12-19(13-15-21)17-30(22-9-2-1-3-10-22)24(32)18-31-25(33)27(29-26(31)34)16-6-8-20-7-4-5-11-23(20)27/h4-5,7,11-15,22H,1-3,6,8-10,16-18H2,(H,29,34)/t27-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 463.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 40843146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).