(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide

C13H14Cl3N3O2 — CID 71463315

IUPAC(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O
InChIInChI=1S/C13H14Cl3N3O2/c1-18-6-11(19(2)13(18)21)12(20)17-5-8-9(15)3-7(14)4-10(8)16/h3-4,11H,5-6H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyFUHDHLZCYVIRFS-NSHDSACASA-N
MW350.63 g/mol
LogP2.63
Rot. Bonds3

About (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide

(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide (PubChem CID 71463315) has the molecular formula C13H14Cl3N3O2 and a molecular weight of 350.63 g/mol. Its IUPAC name is (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide
PubChem CID71463315
Molecular FormulaC13H14Cl3N3O2
Molecular Weight350.63 g/mol
Exact Mass349.02
IUPAC Name(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O
InChIInChI=1S/C13H14Cl3N3O2/c1-18-6-11(19(2)13(18)21)12(20)17-5-8-9(15)3-7(14)4-10(8)16/h3-4,11H,5-6H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyFUHDHLZCYVIRFS-NSHDSACASA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk1370319A
CID 67461788
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
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Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide (CID 71463315) is (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O.
What is the InChIKey of (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide?
The InChIKey is FUHDHLZCYVIRFS-NSHDSACASA-N. The full InChI is InChI=1S/C13H14Cl3N3O2/c1-18-6-11(19(2)13(18)21)12(20)17-5-8-9(15)3-7(14)4-10(8)16/h3-4,11H,5-6H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide?
(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide has a molecular weight of 350.63 g/mol, XLogP of 2.63, 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-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 71463315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).