1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C15H20FN3O2 — CID 111926815

IUPAC1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H20FN3O2/c1-2-3-11(6-7-20)10-18-15(21)19-14-5-4-13(16)8-12(14)9-17/h4-5,8,11,20H,2-3,6-7,10H2,1H3,(H2,18,19,21)
InChIKeyXHDACNARBKVATA-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.62
Rot. Bonds7

About 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111926815) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111926815
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H20FN3O2/c1-2-3-11(6-7-20)10-18-15(21)19-14-5-4-13(16)8-12(14)9-17/h4-5,8,11,20H,2-3,6-7,10H2,1H3,(H2,18,19,21)
InChIKeyXHDACNARBKVATA-UHFFFAOYSA-N
XLogP2.62
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-cyano-4-fluorophenyl)carbamoylamino]methyl]pentanoic acid
CID 82683792
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
4-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 82016044
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
1-(2-cyano-4-fluorophenyl)-3-[2-(N-methylanilino)propyl]urea
CID 78896423
ethyl N-[1-[(2-cyano-4-fluorophenyl)carbamoylamino]-4-methylpentan-2-yl]carbamate
CID 78896128
1-(2-cyano-4-fluorophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111926832
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
5-[(2-cyano-4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686878
1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473082

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111926815) is 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is XHDACNARBKVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-3-11(6-7-20)10-18-15(21)19-14-5-4-13(16)8-12(14)9-17/h4-5,8,11,20H,2-3,6-7,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 293.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111926815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).