N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C13H13ClN4O4 — CID 2691171

IUPACN-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O
InChIInChI=1S/C13H13ClN4O4/c1-13(7-2-4-8(14)5-3-7)10(20)18(12(22)17-13)6-9(19)16-11(15)21/h2-5H,6H2,1H3,(H,17,22)(H3,15,16,19,21)/t13-/m0/s1
InChIKeyXFCHAVSXYSTRSF-ZDUSSCGKSA-N
MW324.72 g/mol
LogP0.30
Rot. Bonds3

About N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2691171) has the molecular formula C13H13ClN4O4 and a molecular weight of 324.72 g/mol. Its IUPAC name is N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2691171
Molecular FormulaC13H13ClN4O4
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC NameN-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O
InChIInChI=1S/C13H13ClN4O4/c1-13(7-2-4-8(14)5-3-7)10(20)18(12(22)17-13)6-9(19)16-11(15)21/h2-5H,6H2,1H3,(H,17,22)(H3,15,16,19,21)/t13-/m0/s1
InChIKeyXFCHAVSXYSTRSF-ZDUSSCGKSA-N
XLogP0.30
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2633579
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2570395
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 2647880
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 2705958
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 40842811
5-(4-chlorophenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 17445039
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2691171) is N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O.
What is the InChIKey of N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XFCHAVSXYSTRSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13ClN4O4/c1-13(7-2-4-8(14)5-3-7)10(20)18(12(22)17-13)6-9(19)16-11(15)21/h2-5H,6H2,1H3,(H,17,22)(H3,15,16,19,21)/t13-/m0/s1.
What are the key properties of N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 324.72 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2691171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).