1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C18H20BrN3O — CID 10309280

IUPAC1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-6-7-17-14(12-13)8-10-22(17)11-9-20-18(23)21-16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H2,20,21,23)
InChIKeyGWTRXUMFQDUWKA-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 10309280) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID10309280
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-6-7-17-14(12-13)8-10-22(17)11-9-20-18(23)21-16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H2,20,21,23)
InChIKeyGWTRXUMFQDUWKA-UHFFFAOYSA-N
XLogP3.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 10309280) is 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea is Cc1ccc2c(c1)CCN2CCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is GWTRXUMFQDUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-6-7-17-14(12-13)8-10-22(17)11-9-20-18(23)21-16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 374.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 10309280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).