(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide

C12H13ClFN3O2 — CID 71454395

IUPAC(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)NC1=O
InChIInChI=1S/C12H13ClFN3O2/c1-17-6-10(16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyWBQIZZZHVVLKNV-JTQLQIEISA-N
MW285.71 g/mol
LogP1.12
Rot. Bonds3

About (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71454395) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71454395
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)NC1=O
InChIInChI=1S/C12H13ClFN3O2/c1-17-6-10(16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyWBQIZZZHVVLKNV-JTQLQIEISA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 71454395) is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)NC1=O.
What is the InChIKey of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WBQIZZZHVVLKNV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-17-6-10(16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 285.71 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71454395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).