1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea

C14H17BrN2O — CID 108906847

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
SMILESO=C(N/C=C/c1cccc(Br)c1)NC1CCCC1
InChIInChI=1S/C14H17BrN2O/c15-12-5-3-4-11(10-12)8-9-16-14(18)17-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H2,16,17,18)/b9-8+
InChIKeyYTFXKHDQXZOQPY-CMDGGOBGSA-N
MW309.21 g/mol
LogP3.66
Rot. Bonds3

About 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea

1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea (PubChem CID 108906847) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
PubChem CID108906847
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
SMILESO=C(N/C=C/c1cccc(Br)c1)NC1CCCC1
InChIInChI=1S/C14H17BrN2O/c15-12-5-3-4-11(10-12)8-9-16-14(18)17-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H2,16,17,18)/b9-8+
InChIKeyYTFXKHDQXZOQPY-CMDGGOBGSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
[2-(cyclohexylamino)-2-oxoethyl] 3-(3-bromophenyl)prop-2-enoate
CID 4802335
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea
CID 108906234
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea (CID 108906847) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea is O=C(N/C=C/c1cccc(Br)c1)NC1CCCC1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea?
The InChIKey is YTFXKHDQXZOQPY-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-12-5-3-4-11(10-12)8-9-16-14(18)17-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H2,16,17,18)/b9-8+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea has a molecular weight of 309.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea is sourced from PubChem (CID 108906847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).