3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea

C17H19BrN2O3 — CID 71655123

IUPAC3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CN(CCO)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3/c1-23-16-4-2-3-13(11-16)12-20(9-10-21)17(22)19-15-7-5-14(18)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,19,22)
InChIKeyNWULOXOACUMUGG-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.48
Rot. Bonds6

About 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea

3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea (PubChem CID 71655123) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
PubChem CID71655123
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CN(CCO)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3/c1-23-16-4-2-3-13(11-16)12-20(9-10-21)17(22)19-15-7-5-14(18)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,19,22)
InChIKeyNWULOXOACUMUGG-UHFFFAOYSA-N
XLogP3.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4589374
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
3-(4-bromophenyl)-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea
CID 42663183
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
[3-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
CID 5130568
[3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
CID 3611617
3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 68563409
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1-(3-pyrrolidin-1-ylpropyl)urea
CID 68563892

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea (CID 71655123) is 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea is COc1cccc(CN(CCO)C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea?
The InChIKey is NWULOXOACUMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-23-16-4-2-3-13(11-16)12-20(9-10-21)17(22)19-15-7-5-14(18)6-8-15/h2-8,11,21H,9-10,12H2,1H3,(H,19,22).
What are the key properties of 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea?
3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea has a molecular weight of 379.25 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 71655123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).