1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea

C19H23BrN2O4 — CID 55483025

IUPAC1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)NC(C)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C19H23BrN2O4/c1-12(14-7-5-6-8-15(14)20)22-19(23)21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-10,12H,11H2,1-4H3,(H2,21,22,23)
InChIKeyQXRCIDZARAUOKW-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.04
Rot. Bonds7

About 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea

1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 55483025) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID55483025
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)NC(C)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C19H23BrN2O4/c1-12(14-7-5-6-8-15(14)20)22-19(23)21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-10,12H,11H2,1-4H3,(H2,21,22,23)
InChIKeyQXRCIDZARAUOKW-UHFFFAOYSA-N
XLogP4.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 17460810
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
methyl 3-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide
CID 55769134
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 55483025) is 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cc(CNC(=O)NC(C)c2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is QXRCIDZARAUOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-12(14-7-5-6-8-15(14)20)22-19(23)21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-10,12H,11H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 423.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 55483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).