1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea

C18H21BrN2O — CID 52797116

IUPAC1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCc1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-14-6-2-3-7-15(14)10-12-20-18(22)21-13-11-16-8-4-5-9-17(16)19/h2-9H,10-13H2,1H3,(H2,20,21,22)
InChIKeyWCQSOASBNXYVMC-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.84
Rot. Bonds6

About 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea

1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 52797116) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID52797116
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCc1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-14-6-2-3-7-15(14)10-12-20-18(22)21-13-11-16-8-4-5-9-17(16)19/h2-9H,10-13H2,1H3,(H2,20,21,22)
InChIKeyWCQSOASBNXYVMC-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
1-[2-(2-bromophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108900661
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
1-[2-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea (CID 52797116) is 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCCc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is WCQSOASBNXYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14-6-2-3-7-15(14)10-12-20-18(22)21-13-11-16-8-4-5-9-17(16)19/h2-9H,10-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 361.28 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 52797116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).