1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea

C12H16F2N2O2 — CID 71981439

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCCc1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c13-10-2-3-11(14)9(8-10)4-6-16-12(18)15-5-1-7-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyRMLHMMWQKNPPCC-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.19
Rot. Bonds6

About 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea

1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea (PubChem CID 71981439) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
PubChem CID71981439
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCCc1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c13-10-2-3-11(14)9(8-10)4-6-16-12(18)15-5-1-7-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyRMLHMMWQKNPPCC-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
1-[2-(2,5-difluorophenyl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111603978
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea (CID 71981439) is 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)NCCc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea?
The InChIKey is RMLHMMWQKNPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-10-2-3-11(14)9(8-10)4-6-16-12(18)15-5-1-7-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18).
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea?
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea has a molecular weight of 258.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 71981439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).