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

C12H13Cl2N3O2 — CID 50898450

IUPAC(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyVIXOZHAIHKRRKM-JTQLQIEISA-N
MW302.16 g/mol
LogP1.63
Rot. Bonds3

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

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 50898450) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID50898450
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyVIXOZHAIHKRRKM-JTQLQIEISA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
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
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 2122018
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 594494
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pentanamide
CID 11515426
(S)-N-(2,4-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11529992
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
CID 11558708
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cyclopropanecarboxamide
CID 11580456
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 50898450) is (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is VIXOZHAIHKRRKM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1.
What are the key properties of (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 50898450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).