1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea

C12H15FN2O2 — CID 43429992

IUPAC1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCO)C1CC1
InChIInChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)14-12(17)15(7-8-16)11-5-6-11/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyKQAVLUNSZXSTDO-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.81
Rot. Bonds4

About 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea (PubChem CID 43429992) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
PubChem CID43429992
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCO)C1CC1
InChIInChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)14-12(17)15(7-8-16)11-5-6-11/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyKQAVLUNSZXSTDO-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111476030
1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
CID 167971400
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)urea
CID 111107543
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea (CID 43429992) is 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea is O=C(Nc1ccc(F)cc1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
The InChIKey is KQAVLUNSZXSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-1-3-10(4-2-9)14-12(17)15(7-8-16)11-5-6-11/h1-4,11,16H,5-8H2,(H,14,17).
What are the key properties of 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea has a molecular weight of 238.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 43429992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).