1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea

C16H23FN2O — CID 108901132

IUPAC1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCN(C(=O)NCCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyJVSIPXQXIDOOIF-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.34
Rot. Bonds4

About 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea

1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea (PubChem CID 108901132) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
PubChem CID108901132
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCN(C(=O)NCCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyJVSIPXQXIDOOIF-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea 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-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
CID 60593250
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 31737743
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 31737906
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61202292
N-cyclohexyl-2-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111396468
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea (CID 108901132) is 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea is CN(C(=O)NCCc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is JVSIPXQXIDOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19(15-8-3-2-4-9-15)16(20)18-11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3,(H,18,20).
What are the key properties of 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea?
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 278.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 108901132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).