1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea

C15H23FN2O3 — CID 111974568

IUPAC1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-3-12(10-19)18-15(20)17-9-13(4-2)21-14-7-5-6-11(16)8-14/h5-8,12-13,19H,3-4,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyUKSUSYAFPHRKHO-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.05
Rot. Bonds8

About 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea

1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111974568) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111974568
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-3-12(10-19)18-15(20)17-9-13(4-2)21-14-7-5-6-11(16)8-14/h5-8,12-13,19H,3-4,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyUKSUSYAFPHRKHO-UHFFFAOYSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
CID 71974057
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614
2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111974572
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
CID 119952317
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97255935
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea (CID 111974568) is 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCC(CC)Oc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is UKSUSYAFPHRKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-3-12(10-19)18-15(20)17-9-13(4-2)21-14-7-5-6-11(16)8-14/h5-8,12-13,19H,3-4,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea?
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 298.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111974568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).