1-(2-bromophenyl)-3-cycloheptylurea

C14H19BrN2O — CID 3671520

IUPAC1-(2-bromophenyl)-3-cycloheptylurea
SMILESO=C(Nc1ccccc1Br)NC1CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-9-5-6-10-13(12)17-14(18)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18)
InChIKeyXWOMYVKZVJMPEY-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.29
Rot. Bonds2

About 1-(2-bromophenyl)-3-cycloheptylurea

1-(2-bromophenyl)-3-cycloheptylurea (PubChem CID 3671520) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cycloheptylurea
PubChem CID3671520
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(2-bromophenyl)-3-cycloheptylurea
SMILESO=C(Nc1ccccc1Br)NC1CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-9-5-6-10-13(12)17-14(18)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18)
InChIKeyXWOMYVKZVJMPEY-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414
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CID 114173616
1-cyclobutyl-3-(2,4-dibromophenyl)urea
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N-(2-bromophenyl)cyclopentanecarboxamide
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1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cycloheptylurea?
The IUPAC name of 1-(2-bromophenyl)-3-cycloheptylurea (CID 3671520) is 1-(2-bromophenyl)-3-cycloheptylurea.
What is the SMILES notation for 1-(2-bromophenyl)-3-cycloheptylurea?
The canonical SMILES for 1-(2-bromophenyl)-3-cycloheptylurea is O=C(Nc1ccccc1Br)NC1CCCCCC1.
What is the InChIKey of 1-(2-bromophenyl)-3-cycloheptylurea?
The InChIKey is XWOMYVKZVJMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-9-5-6-10-13(12)17-14(18)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18).
What are the key properties of 1-(2-bromophenyl)-3-cycloheptylurea?
1-(2-bromophenyl)-3-cycloheptylurea has a molecular weight of 311.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cycloheptylurea is sourced from PubChem (CID 3671520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).