1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea

C12H17FN2O2 — CID 113376612

IUPAC1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
SMILESCC(O)CC(C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-8(7-9(2)16)14-12(17)15-11-5-3-10(13)4-6-11/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15,17)
InChIKeyLIAGCOMLKSWRNI-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.11
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea

1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea (PubChem CID 113376612) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
PubChem CID113376612
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
SMILESCC(O)CC(C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-8(7-9(2)16)14-12(17)15-11-5-3-10(13)4-6-11/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15,17)
InChIKeyLIAGCOMLKSWRNI-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056
1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)urea
CID 62089411
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 61499885
(E)-N'-(4-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)but-2-enediamide
CID 110007312
1-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea (CID 113376612) is 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea is CC(O)CC(C)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea?
The InChIKey is LIAGCOMLKSWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-9(2)16)14-12(17)15-11-5-3-10(13)4-6-11/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea?
1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea has a molecular weight of 240.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea is sourced from PubChem (CID 113376612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).