3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C15H21FN2O2 — CID 111426948

IUPAC3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-7-18(8-9-19)15(20)17-12(2)10-13-5-4-6-14(16)11-13/h3-6,11-12,19H,1,7-10H2,2H3,(H,17,20)
InChIKeyHMKSMUAGZXOOTD-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.95
Rot. Bonds7

About 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111426948) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111426948
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-7-18(8-9-19)15(20)17-12(2)10-13-5-4-6-14(16)11-13/h3-6,11-12,19H,1,7-10H2,2H3,(H,17,20)
InChIKeyHMKSMUAGZXOOTD-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 110922200
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
3-(2-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423941
1-[1-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111455614
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
CID 139015337
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-prop-2-enylpropanamide
CID 810411

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111426948) is 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC(C)Cc1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is HMKSMUAGZXOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-7-18(8-9-19)15(20)17-12(2)10-13-5-4-6-14(16)11-13/h3-6,11-12,19H,1,7-10H2,2H3,(H,17,20).
What are the key properties of 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 280.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111426948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).