1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea

C11H14BrFN2O2 — CID 75379402

IUPAC1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-2-8(6-16)14-11(17)15-10-5-7(13)3-4-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyZEDBWFXOYFRJLD-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea

1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 75379402) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID75379402
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-2-8(6-16)14-11(17)15-10-5-7(13)3-4-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyZEDBWFXOYFRJLD-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
4-bromo-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 107813902
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107629066
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107629030
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107629069
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea (CID 75379402) is 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is ZEDBWFXOYFRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-2-8(6-16)14-11(17)15-10-5-7(13)3-4-9(10)12/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 305.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 75379402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).