1-(2-bromophenyl)-3-prop-1-en-2-ylurea

C10H11BrN2O — CID 108910399

IUPAC1-(2-bromophenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H11BrN2O/c1-7(2)12-10(14)13-9-6-4-3-5-8(9)11/h3-6H,1H2,2H3,(H2,12,13,14)
InChIKeyMWUKZTGBCRUBEZ-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.10
Rot. Bonds2

About 1-(2-bromophenyl)-3-prop-1-en-2-ylurea

1-(2-bromophenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910399) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-prop-1-en-2-ylurea
PubChem CID108910399
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(2-bromophenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C10H11BrN2O/c1-7(2)12-10(14)13-9-6-4-3-5-8(9)11/h3-6H,1H2,2H3,(H2,12,13,14)
InChIKeyMWUKZTGBCRUBEZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2-bromophenyl)-3-prop-1-en-2-ylurea (CID 108910399) is 1-(2-bromophenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2-bromophenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2-bromophenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-prop-1-en-2-ylurea?
The InChIKey is MWUKZTGBCRUBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-7(2)12-10(14)13-9-6-4-3-5-8(9)11/h3-6H,1H2,2H3,(H2,12,13,14).
What are the key properties of 1-(2-bromophenyl)-3-prop-1-en-2-ylurea?
1-(2-bromophenyl)-3-prop-1-en-2-ylurea has a molecular weight of 255.11 g/mol, XLogP of 3.10, 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-prop-1-en-2-ylurea is sourced from PubChem (CID 108910399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).