1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C14H20BrFN2O2 — CID 111474795

IUPAC1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2/c1-2-3-10(6-7-19)9-17-14(20)18-13-8-11(15)4-5-12(13)16/h4-5,8,10,19H,2-3,6-7,9H2,1H3,(H2,17,18,20)
InChIKeyPPASARGOZSOSFR-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.51
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111474795) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111474795
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2/c1-2-3-10(6-7-19)9-17-14(20)18-13-8-11(15)4-5-12(13)16/h4-5,8,10,19H,2-3,6-7,9H2,1H3,(H2,17,18,20)
InChIKeyPPASARGOZSOSFR-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473082
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111926815
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
2-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111713365
4-[(5-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007198
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111474795) is 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is PPASARGOZSOSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-2-3-10(6-7-19)9-17-14(20)18-13-8-11(15)4-5-12(13)16/h4-5,8,10,19H,2-3,6-7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 347.23 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).