(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide

C15H20FN3O2 — CID 97070023

IUPAC(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-15(2,3)12(9-4-6-10(16)7-5-9)19-13(20)11-8-17-14(21)18-11/h4-7,11-12H,8H2,1-3H3,(H,19,20)(H2,17,18,21)/t11-,12+/m0/s1
InChIKeyCIGRICCBXXJPOE-NWDGAFQWSA-N
MW293.34 g/mol
LogP1.71
Rot. Bonds3

About (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97070023) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97070023
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-15(2,3)12(9-4-6-10(16)7-5-9)19-13(20)11-8-17-14(21)18-11/h4-7,11-12H,8H2,1-3H3,(H,19,20)(H2,17,18,21)/t11-,12+/m0/s1
InChIKeyCIGRICCBXXJPOE-NWDGAFQWSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide (CID 97070023) is (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide is CC(C)(C)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1.
What is the InChIKey of (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CIGRICCBXXJPOE-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-15(2,3)12(9-4-6-10(16)7-5-9)19-13(20)11-8-17-14(21)18-11/h4-7,11-12H,8H2,1-3H3,(H,19,20)(H2,17,18,21)/t11-,12+/m0/s1.
What are the key properties of (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97070023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).