1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea

C10H12Br2N2O2 — CID 51944658

IUPAC1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
SMILESC[C@H](O)CNC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O2/c1-6(15)5-13-10(16)14-9-3-2-7(11)4-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyUQZPPUJPDPUUKY-LURJTMIESA-N
MW352.03 g/mol
LogP2.71
Rot. Bonds3

About 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea

1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea (PubChem CID 51944658) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
PubChem CID51944658
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Name1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
SMILESC[C@H](O)CNC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O2/c1-6(15)5-13-10(16)14-9-3-2-7(11)4-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1
InChIKeyUQZPPUJPDPUUKY-LURJTMIESA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
5-[(2,4-dibromophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686390
3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
CID 54954210
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668651
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666901
5-[(2,5-dibromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688853
2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
CID 116675274
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
CID 61475658

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea?
The IUPAC name of 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea (CID 51944658) is 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea is C[C@H](O)CNC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea?
The InChIKey is UQZPPUJPDPUUKY-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c1-6(15)5-13-10(16)14-9-3-2-7(11)4-8(9)12/h2-4,6,15H,5H2,1H3,(H2,13,14,16)/t6-/m0/s1.
What are the key properties of 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea?
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea has a molecular weight of 352.03 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea is sourced from PubChem (CID 51944658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).