3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea

C13H19BrN2O3 — CID 110902709

IUPAC3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O3/c1-3-6-16(7-8-17)13(18)15-11-9-10(14)4-5-12(11)19-2/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyHNZVWENZXYPFMQ-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.69
Rot. Bonds6

About 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea

3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110902709) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110902709
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O3/c1-3-6-16(7-8-17)13(18)15-11-9-10(14)4-5-12(11)19-2/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyHNZVWENZXYPFMQ-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
CID 60562444
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120739
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 118766247
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
3-(5-bromo-2-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 60562828
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
CID 91733734
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea (CID 110902709) is 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1cc(Br)ccc1OC.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is HNZVWENZXYPFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-3-6-16(7-8-17)13(18)15-11-9-10(14)4-5-12(11)19-2/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea?
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 331.21 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110902709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).