1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea

C12H17FN2O2 — CID 111119363

IUPAC1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-4-11(16)8-14-12(17)15-10-6-3-5-9(13)7-10/h3,5-7,11,16H,2,4,8H2,1H3,(H2,14,15,17)
InChIKeyMZJCKCGREHFPQQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea

1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea (PubChem CID 111119363) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
PubChem CID111119363
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-4-11(16)8-14-12(17)15-10-6-3-5-9(13)7-10/h3,5-7,11,16H,2,4,8H2,1H3,(H2,14,15,17)
InChIKeyMZJCKCGREHFPQQ-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(2-hydroxypentyl)-3-pyridin-4-ylurea
CID 111119369
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-hydroxypentyl)urea
CID 111431681
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
CID 61030478
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea (CID 111119363) is 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea?
The InChIKey is MZJCKCGREHFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-4-11(16)8-14-12(17)15-10-6-3-5-9(13)7-10/h3,5-7,11,16H,2,4,8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea?
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea has a molecular weight of 240.28 g/mol, XLogP of 2.11, 5 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-hydroxypentyl)urea is sourced from PubChem (CID 111119363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).