N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide

C13H15ClN4O3 — CID 28526956

IUPACN-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCN1CC(=O)N(CCC(=O)Nc2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C13H15ClN4O3/c1-17-7-12(20)18(13(17)21)5-4-11(19)16-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5,7,15H2,1H3,(H,16,19)
InChIKeyLDRYCTOEOHSCRV-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.14
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 28526956) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID28526956
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCN1CC(=O)N(CCC(=O)Nc2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C13H15ClN4O3/c1-17-7-12(20)18(13(17)21)5-4-11(19)16-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5,7,15H2,1H3,(H,16,19)
InChIKeyLDRYCTOEOHSCRV-UHFFFAOYSA-N
XLogP1.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 28526956) is N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide is CN1CC(=O)N(CCC(=O)Nc2cc(Cl)ccc2N)C1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is LDRYCTOEOHSCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-17-7-12(20)18(13(17)21)5-4-11(19)16-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5,7,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 310.74 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 28526956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).