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

C16H19F2N3O4 — CID 18165058

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C16H19F2N3O4/c1-20-10-14(23)21(16(20)24)8-4-7-13(22)19-9-11-5-2-3-6-12(11)25-15(17)18/h2-3,5-6,15H,4,7-10H2,1H3,(H,19,22)
InChIKeyCBODZGMWWXWFCW-UHFFFAOYSA-N
MW355.34 g/mol
LogP1.58
Rot. Bonds8

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

N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 18165058) has the molecular formula C16H19F2N3O4 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID18165058
Molecular FormulaC16H19F2N3O4
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C16H19F2N3O4/c1-20-10-14(23)21(16(20)24)8-4-7-13(22)19-9-11-5-2-3-6-12(11)25-15(17)18/h2-3,5-6,15H,4,7-10H2,1H3,(H,19,22)
InChIKeyCBODZGMWWXWFCW-UHFFFAOYSA-N
XLogP1.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292749
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
CID 134003556
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 18143927
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46699053
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
CID 119367892
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 18165058) is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)NCc2ccccc2OC(F)F)C1=O.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is CBODZGMWWXWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O4/c1-20-10-14(23)21(16(20)24)8-4-7-13(22)19-9-11-5-2-3-6-12(11)25-15(17)18/h2-3,5-6,15H,4,7-10H2,1H3,(H,19,22).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 355.34 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18165058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).