3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea

C12H17BrN2O2 — CID 52910304

IUPAC3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-2-6-15(7-8-16)12(17)14-11-5-3-4-10(13)9-11/h3-5,9,16H,2,6-8H2,1H3,(H,14,17)
InChIKeyWHOHOGYUDPOTPZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.69
Rot. Bonds5

About 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea

3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 52910304) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID52910304
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-2-6-15(7-8-16)12(17)14-11-5-3-4-10(13)9-11/h3-5,9,16H,2,6-8H2,1H3,(H,14,17)
InChIKeyWHOHOGYUDPOTPZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 110902709
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea (CID 52910304) is 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is WHOHOGYUDPOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-2-6-15(7-8-16)12(17)14-11-5-3-4-10(13)9-11/h3-5,9,16H,2,6-8H2,1H3,(H,14,17).
What are the key properties of 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea?
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 301.18 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 52910304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).