3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione

C14H17F2N3O3 — CID 51076814

IUPAC3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O3/c1-18(6-7-19-12(20)8-17-14(19)21)9-10-2-4-11(5-3-10)22-13(15)16/h2-5,13H,6-9H2,1H3,(H,17,21)
InChIKeyUHRJPOPTJFBCJY-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.27
Rot. Bonds7

About 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione

3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione (PubChem CID 51076814) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
PubChem CID51076814
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O3/c1-18(6-7-19-12(20)8-17-14(19)21)9-10-2-4-11(5-3-10)22-13(15)16/h2-5,13H,6-9H2,1H3,(H,17,21)
InChIKeyUHRJPOPTJFBCJY-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.27
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

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
CID 112734238
3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
CID 71923300
3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
CID 115773268
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87012759
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55393685
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 51140706
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione (CID 51076814) is 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione is CN(CCN1C(=O)CNC1=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione?
The InChIKey is UHRJPOPTJFBCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-18(6-7-19-12(20)8-17-14(19)21)9-10-2-4-11(5-3-10)22-13(15)16/h2-5,13H,6-9H2,1H3,(H,17,21).
What are the key properties of 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione?
3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione has a molecular weight of 313.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51076814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).