N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C16H20ClN3O3 — CID 18162365

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCCc2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-19-11-15(22)20(16(19)23)9-3-6-14(21)18-8-7-12-4-2-5-13(17)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,21)
InChIKeyOJFHOKRUTFMJRM-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 18162365) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID18162365
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCCc2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-19-11-15(22)20(16(19)23)9-3-6-14(21)18-8-7-12-4-2-5-13(17)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,21)
InChIKeyOJFHOKRUTFMJRM-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
CID 134003556
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 18162365) is N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)NCCc2cccc(Cl)c2)C1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is OJFHOKRUTFMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-19-11-15(22)20(16(19)23)9-3-6-14(21)18-8-7-12-4-2-5-13(17)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 337.81 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18162365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).