2-[(2,5-difluorophenyl)methylamino]ethylurea

C10H13F2N3O — CID 83111439

IUPAC2-[(2,5-difluorophenyl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cc(F)ccc1F
InChIInChI=1S/C10H13F2N3O/c11-8-1-2-9(12)7(5-8)6-14-3-4-15-10(13)16/h1-2,5,14H,3-4,6H2,(H3,13,15,16)
InChIKeyBOINKOJCBJAMEP-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.72
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methylamino]ethylurea

2-[(2,5-difluorophenyl)methylamino]ethylurea (PubChem CID 83111439) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylamino]ethylurea
PubChem CID83111439
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[(2,5-difluorophenyl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cc(F)ccc1F
InChIInChI=1S/C10H13F2N3O/c11-8-1-2-9(12)7(5-8)6-14-3-4-15-10(13)16/h1-2,5,14H,3-4,6H2,(H3,13,15,16)
InChIKeyBOINKOJCBJAMEP-UHFFFAOYSA-N
XLogP0.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)ethylurea
CID 115168493
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
1-(diaminomethylidene)-3-[(2,5-difluorophenyl)methyl]urea;hydrochloride
CID 19360530
2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea
CID 112652234
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
4-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63792431
4-[(2,5-difluorophenyl)methylamino]-N'-hydroxybutanimidamide
CID 77028287

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylamino]ethylurea?
The IUPAC name of 2-[(2,5-difluorophenyl)methylamino]ethylurea (CID 83111439) is 2-[(2,5-difluorophenyl)methylamino]ethylurea.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylamino]ethylurea?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylamino]ethylurea is NC(=O)NCCNCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylamino]ethylurea?
The InChIKey is BOINKOJCBJAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-8-1-2-9(12)7(5-8)6-14-3-4-15-10(13)16/h1-2,5,14H,3-4,6H2,(H3,13,15,16).
What are the key properties of 2-[(2,5-difluorophenyl)methylamino]ethylurea?
2-[(2,5-difluorophenyl)methylamino]ethylurea has a molecular weight of 229.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylamino]ethylurea is sourced from PubChem (CID 83111439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).