(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide

C13H14F3N3O2 — CID 71463305

IUPAC(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2F)N(C)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-18-6-9(19(2)13(18)21)12(20)17-5-7-3-4-8(14)11(16)10(7)15/h3-4,9H,5-6H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyUPPZDUOQXRBECJ-VIFPVBQESA-N
MW301.27 g/mol
LogP1.09
Rot. Bonds3

About (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide

(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide (PubChem CID 71463305) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide
PubChem CID71463305
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2F)N(C)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-18-6-9(19(2)13(18)21)12(20)17-5-7-3-4-8(14)11(16)10(7)15/h3-4,9H,5-6H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKeyUPPZDUOQXRBECJ-VIFPVBQESA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 3292
CID 3292
CID 1002
CID 1002
CID 562619
CID 562619
CID 231959
CID 231959
CID 10178009
CID 10178009
CID 11580945
CID 11580945
CID 11645337
CID 11645337
CID 155213164
CID 155213164
CID 52944502
CID 52944502
CID 155213179
CID 155213179
CID 4264496
CID 4264496
CID 265439
CID 265439

Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide (CID 71463305) is (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2F)N(C)C1=O.
What is the InChIKey of (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The InChIKey is UPPZDUOQXRBECJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-18-6-9(19(2)13(18)21)12(20)17-5-7-3-4-8(14)11(16)10(7)15/h3-4,9H,5-6H2,1-2H3,(H,17,20)/t9-/m0/s1.
What are the key properties of (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
(4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3-dimethyl-2-oxo-N-[(2,3,4-trifluorophenyl)methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 71463305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).