1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C15H22FN3O — CID 108906211

IUPAC1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCN(CC)CCNC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-3-19(4-2)11-10-18-15(20)17-9-8-13-6-5-7-14(16)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,20)/b9-8+
InChIKeyJUAOPTBHJDNARD-CMDGGOBGSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906211) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906211
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCN(CC)CCNC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-3-19(4-2)11-10-18-15(20)17-9-8-13-6-5-7-14(16)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,20)/b9-8+
InChIKeyJUAOPTBHJDNARD-CMDGGOBGSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]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

ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
CID 108906183
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108906290
4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108906181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906211) is 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is CCN(CC)CCNC(=O)N/C=C/c1cccc(F)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is JUAOPTBHJDNARD-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-19(4-2)11-10-18-15(20)17-9-8-13-6-5-7-14(16)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,20)/b9-8+.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 279.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).