1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C14H21FN2O2 — CID 103709950

IUPAC1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-2-4-11(7-8-18)10-16-14(19)17-13-6-3-5-12(15)9-13/h3,5-6,9,11,18H,2,4,7-8,10H2,1H3,(H2,16,17,19)
InChIKeyLZWFJAJYQZQUCY-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.75
Rot. Bonds7

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

1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 103709950) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID103709950
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-2-4-11(7-8-18)10-16-14(19)17-13-6-3-5-12(15)9-13/h3,5-6,9,11,18H,2,4,7-8,10H2,1H3,(H2,16,17,19)
InChIKeyLZWFJAJYQZQUCY-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111926815
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 103709950) is 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is LZWFJAJYQZQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-4-11(7-8-18)10-16-14(19)17-13-6-3-5-12(15)9-13/h3,5-6,9,11,18H,2,4,7-8,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 268.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 103709950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).