1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

C18H18BrN3O2 — CID 17171258

IUPAC1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3Br)c2c1
InChIInChI=1S/C18H18BrN3O2/c1-24-13-6-7-16-14(10-13)12(11-21-16)8-9-20-18(23)22-17-5-3-2-4-15(17)19/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22,23)
InChIKeyJSIISOQLPQIMND-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea (PubChem CID 17171258) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
PubChem CID17171258
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3Br)c2c1
InChIInChI=1S/C18H18BrN3O2/c1-24-13-6-7-16-14(10-13)12(11-21-16)8-9-20-18(23)22-17-5-3-2-4-15(17)19/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22,23)
InChIKeyJSIISOQLPQIMND-UHFFFAOYSA-N
XLogP4.30
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea (CID 17171258) is 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea is COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3Br)c2c1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The InChIKey is JSIISOQLPQIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-24-13-6-7-16-14(10-13)12(11-21-16)8-9-20-18(23)22-17-5-3-2-4-15(17)19/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea has a molecular weight of 388.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 17171258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).