1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea

C17H17BrFN3O — CID 10215835

IUPAC1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea
SMILESO=C(NCCN1CCc2c(F)cccc21)Nc1ccccc1Br
InChIInChI=1S/C17H17BrFN3O/c18-13-4-1-2-6-15(13)21-17(23)20-9-11-22-10-8-12-14(19)5-3-7-16(12)22/h1-7H,8-11H2,(H2,20,21,23)
InChIKeyDCWPLTKJSJEDKZ-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 10215835) has the molecular formula C17H17BrFN3O and a molecular weight of 378.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID10215835
Molecular FormulaC17H17BrFN3O
Molecular Weight378.25 g/mol
Exact Mass377.05
IUPAC Name1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea
SMILESO=C(NCCN1CCc2c(F)cccc21)Nc1ccccc1Br
InChIInChI=1S/C17H17BrFN3O/c18-13-4-1-2-6-15(13)21-17(23)20-9-11-22-10-8-12-14(19)5-3-7-16(12)22/h1-7H,8-11H2,(H2,20,21,23)
InChIKeyDCWPLTKJSJEDKZ-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
CID 110620208
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
CID 10171756
N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420836

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea (CID 10215835) is 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea is O=C(NCCN1CCc2c(F)cccc21)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is DCWPLTKJSJEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O/c18-13-4-1-2-6-15(13)21-17(23)20-9-11-22-10-8-12-14(19)5-3-7-16(12)22/h1-7H,8-11H2,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 378.25 g/mol, XLogP of 3.77, 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-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 10215835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).