(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C13H15Cl2N3O2 — CID 52943045

IUPAC(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)N(C)C1=O
InChIInChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyAGRUVZOPOWHVQX-JTQLQIEISA-N
MW316.19 g/mol
LogP1.98
Rot. Bonds3

About (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 52943045) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID52943045
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)N(C)C1=O
InChIInChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyAGRUVZOPOWHVQX-JTQLQIEISA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11544186
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849
(S)-N-(2,3,5-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11624458
(S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11659664
(2S)-N-[(2,3-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49865006
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 50898450
US20230312528, Example 61
CID 162509632
1-((2R)-2-aminobutanoyl)-N-(3-chlorobenzyl)-L-prolinamide
CID 25113126
m-Chlorobenzylamide, 1
CID 44237080
N-(4-chlorobenzyl)-2-(1,3-diethyl-2,5-dioxo-4-imidazolidinyl)acetamide
CID 2958006

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 52943045) is (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is AGRUVZOPOWHVQX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52943045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).