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

C16H19F2N3O5 — CID 9261752

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOc1cc(CNC(=O)CCCN2C(=O)CNC2=O)ccc1OC(F)F
InChIInChI=1S/C16H19F2N3O5/c1-25-12-7-10(4-5-11(12)26-15(17)18)8-19-13(22)3-2-6-21-14(23)9-20-16(21)24/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyZERYKOWOPYSXCM-UHFFFAOYSA-N
MW371.34 g/mol
LogP1.24
Rot. Bonds9

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 9261752) has the molecular formula C16H19F2N3O5 and a molecular weight of 371.34 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID9261752
Molecular FormulaC16H19F2N3O5
Molecular Weight371.34 g/mol
Exact Mass371.13
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOc1cc(CNC(=O)CCCN2C(=O)CNC2=O)ccc1OC(F)F
InChIInChI=1S/C16H19F2N3O5/c1-25-12-7-10(4-5-11(12)26-15(17)18)8-19-13(22)3-2-6-21-14(23)9-20-16(21)24/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyZERYKOWOPYSXCM-UHFFFAOYSA-N
XLogP1.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9262049
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 55656409
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41497799
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51192224
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (CID 9261752) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is COc1cc(CNC(=O)CCCN2C(=O)CNC2=O)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is ZERYKOWOPYSXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O5/c1-25-12-7-10(4-5-11(12)26-15(17)18)8-19-13(22)3-2-6-21-14(23)9-20-16(21)24/h4-5,7,15H,2-3,6,8-9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 371.34 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 9261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).