3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea

C12H16BrFN2O2 — CID 111117091

IUPAC3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-2-5-16(6-7-17)12(18)15-11-8-9(13)3-4-10(11)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18)
InChIKeyIEIAQFHYMZGDFZ-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.82
Rot. Bonds5

About 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea

3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 111117091) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID111117091
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-2-5-16(6-7-17)12(18)15-11-8-9(13)3-4-10(11)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18)
InChIKeyIEIAQFHYMZGDFZ-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120739
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 110902709
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
2,4-difluoro-5-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425390
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43555976
2-[(5-bromo-2-fluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79283373
3-[(4-bromo-3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910356
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea (CID 111117091) is 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is IEIAQFHYMZGDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-2-5-16(6-7-17)12(18)15-11-8-9(13)3-4-10(11)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18).
What are the key properties of 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 319.17 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 111117091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).