1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C15H23BrN2O2 — CID 111473082

IUPAC1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-3-4-12(7-8-19)10-17-15(20)18-14-6-5-11(2)9-13(14)16/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyYSLGBBHMJPZUHX-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.68
Rot. Bonds7

About 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111473082) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111473082
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-3-4-12(7-8-19)10-17-15(20)18-14-6-5-11(2)9-13(14)16/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyYSLGBBHMJPZUHX-UHFFFAOYSA-N
XLogP3.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-bromo-4-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 81072206
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
1-(2-cyano-4-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111926815
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111473082) is 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is YSLGBBHMJPZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-4-12(7-8-19)10-17-15(20)18-14-6-5-11(2)9-13(14)16/h5-6,9,12,19H,3-4,7-8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 343.27 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).