N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C14H16Cl2N4O3 — CID 18208015

IUPACN-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N4O3/c1-19-7-12(22)20(14(19)23)4-2-3-11(21)18-8-5-9(15)13(17)10(16)6-8/h5-6H,2-4,7,17H2,1H3,(H,18,21)
InChIKeyUWJQYPQLYZHWKP-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.19
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 18208015) has the molecular formula C14H16Cl2N4O3 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID18208015
Molecular FormulaC14H16Cl2N4O3
Molecular Weight359.21 g/mol
Exact Mass358.06
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N4O3/c1-19-7-12(22)20(14(19)23)4-2-3-11(21)18-8-5-9(15)13(17)10(16)6-8/h5-6H,2-4,7,17H2,1H3,(H,18,21)
InChIKeyUWJQYPQLYZHWKP-UHFFFAOYSA-N
XLogP2.19
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.19
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

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 9207191
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
5-(4-amino-3,5-dichloroanilino)-5-oxopentanoic acid
CID 881207
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 55383406
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18281436
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17420767
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 18208015) is N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1=O.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is UWJQYPQLYZHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O3/c1-19-7-12(22)20(14(19)23)4-2-3-11(21)18-8-5-9(15)13(17)10(16)6-8/h5-6H,2-4,7,17H2,1H3,(H,18,21).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 359.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18208015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).