1-(2-bromophenyl)-3-(2-hydroxypropyl)urea

C10H13BrN2O2 — CID 117235730

IUPAC1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-7(14)6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5,7,14H,6H2,1H3,(H2,12,13,15)
InChIKeyIIDZOLLSKVRASX-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.95
Rot. Bonds3

About 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea

1-(2-bromophenyl)-3-(2-hydroxypropyl)urea (PubChem CID 117235730) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
PubChem CID117235730
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-7(14)6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5,7,14H,6H2,1H3,(H2,12,13,15)
InChIKeyIIDZOLLSKVRASX-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
2-[[(2-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473882
5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620
1-(2-bromophenyl)-3-[(2S)-2-(diethylamino)-4-methylpentyl]urea
CID 52590736
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea (CID 117235730) is 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea?
The InChIKey is IIDZOLLSKVRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7(14)6-12-10(15)13-9-5-3-2-4-8(9)11/h2-5,7,14H,6H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea?
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea has a molecular weight of 273.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 117235730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).