1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea

C16H23FN2O2 — CID 110913086

IUPAC1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(CNC(=O)N(CCO)C1CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,13-5-3-4-6-14(13)17)11-18-15(21)19(9-10-20)12-7-8-12/h3-6,12,20H,7-11H2,1-2H3,(H,18,21)
InChIKeyKIUDQILCICDVPY-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea (PubChem CID 110913086) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
PubChem CID110913086
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(CNC(=O)N(CCO)C1CC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,13-5-3-4-6-14(13)17)11-18-15(21)19(9-10-20)12-7-8-12/h3-6,12,20H,7-11H2,1-2H3,(H,18,21)
InChIKeyKIUDQILCICDVPY-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110901023
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
CID 60614116
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 52834645
ethyl 1-[N-[2-(2-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156859

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea (CID 110913086) is 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea is CC(C)(CNC(=O)N(CCO)C1CC1)c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea?
The InChIKey is KIUDQILCICDVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,13-5-3-4-6-14(13)17)11-18-15(21)19(9-10-20)12-7-8-12/h3-6,12,20H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea has a molecular weight of 294.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110913086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).