2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea

C11H15F2N3O2 — CID 83109474

IUPAC2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
SMILESNC(=O)NCCNCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2N3O2/c12-10(13)18-9-4-2-1-3-8(9)7-15-5-6-16-11(14)17/h1-4,10,15H,5-7H2,(H3,14,16,17)
InChIKeyAUVYPXMQRZRVNY-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.05
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea

2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea (PubChem CID 83109474) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
PubChem CID83109474
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
SMILESNC(=O)NCCNCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2N3O2/c12-10(13)18-9-4-2-1-3-8(9)7-15-5-6-16-11(14)17/h1-4,10,15H,5-7H2,(H3,14,16,17)
InChIKeyAUVYPXMQRZRVNY-UHFFFAOYSA-N
XLogP1.05
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea (CID 83109474) is 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea is NC(=O)NCCNCc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea?
The InChIKey is AUVYPXMQRZRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-10(13)18-9-4-2-1-3-8(9)7-15-5-6-16-11(14)17/h1-4,10,15H,5-7H2,(H3,14,16,17).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea?
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea has a molecular weight of 259.26 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea is sourced from PubChem (CID 83109474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).