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

C12H13Cl2N3O2 — CID 52947925

IUPAC(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-17-9(6-16-12(17)19)11(18)15-5-7-3-2-4-8(13)10(7)14/h2-4,9H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1
InChIKeyHFZRDXVNQAFPSV-VIFPVBQESA-N
MW302.16 g/mol
LogP1.63
Rot. Bonds3

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

(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 52947925) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID52947925
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-17-9(6-16-12(17)19)11(18)15-5-7-3-2-4-8(13)10(7)14/h2-4,9H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1
InChIKeyHFZRDXVNQAFPSV-VIFPVBQESA-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

(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]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 52947925) is (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NC[C@H]1C(=O)NCc1cccc(Cl)c1Cl.
What is the InChIKey of (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HFZRDXVNQAFPSV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-17-9(6-16-12(17)19)11(18)15-5-7-3-2-4-8(13)10(7)14/h2-4,9H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1.
What are the key properties of (4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2,3-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-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52947925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).