1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

C15H23BrN2O2 — CID 109388620

IUPAC1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)13(19)15(3,4)9-17-14(20)18-12-8-6-5-7-11(12)16/h5-8,10,13,19H,9H2,1-4H3,(H2,17,18,20)
InChIKeyGOERDSWVOMUKAJ-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (PubChem CID 109388620) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
PubChem CID109388620
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)13(19)15(3,4)9-17-14(20)18-12-8-6-5-7-11(12)16/h5-8,10,13,19H,9H2,1-4H3,(H2,17,18,20)
InChIKeyGOERDSWVOMUKAJ-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388887
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 109388781
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
2-[[(2-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473882
1-(3-bromo-2-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474479
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (CID 109388620) is 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is CC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The InChIKey is GOERDSWVOMUKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)13(19)15(3,4)9-17-14(20)18-12-8-6-5-7-11(12)16/h5-8,10,13,19H,9H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea has a molecular weight of 343.27 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is sourced from PubChem (CID 109388620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).