N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C16H15F6N3O3 — CID 9207191

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H15F6N3O3/c1-24-8-13(27)25(14(24)28)4-2-3-12(26)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h5-7H,2-4,8H2,1H3,(H,23,26)
InChIKeyIXVXLDHCNPJQFK-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.34
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 9207191) has the molecular formula C16H15F6N3O3 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID9207191
Molecular FormulaC16H15F6N3O3
Molecular Weight411.30 g/mol
Exact Mass411.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H15F6N3O3/c1-24-8-13(27)25(14(24)28)4-2-3-12(26)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h5-7H,2-4,8H2,1H3,(H,23,26)
InChIKeyIXVXLDHCNPJQFK-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.34
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-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18208015
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81339845
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
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18281436
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17420767

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 9207191) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is IXVXLDHCNPJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O3/c1-24-8-13(27)25(14(24)28)4-2-3-12(26)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h5-7H,2-4,8H2,1H3,(H,23,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 411.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 9207191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).