N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C19H24FN3O3 — CID 40789882

IUPACN-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESC[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c1-13-18(25)22(12-17(24)21(2)15-6-4-3-5-7-15)19(26)23(13)16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyJOPAZXCDDQSHMY-ZDUSSCGKSA-N
MW361.42 g/mol
LogP2.77
Rot. Bonds4

About N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 40789882) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID40789882
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESC[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O3/c1-13-18(25)22(12-17(24)21(2)15-6-4-3-5-7-15)19(26)23(13)16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyJOPAZXCDDQSHMY-ZDUSSCGKSA-N
XLogP2.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 40789882) is N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is C[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is JOPAZXCDDQSHMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13-18(25)22(12-17(24)21(2)15-6-4-3-5-7-15)19(26)23(13)16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 361.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 40789882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).