1-(2,5-dibromophenyl)-3-prop-2-enylurea

C10H10Br2N2O — CID 47033525

IUPAC1-(2,5-dibromophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-4,6H,1,5H2,(H2,13,14,15)
InChIKeyDDUFUEJKDCPQHI-UHFFFAOYSA-N
MW334.01 g/mol
LogP3.52
Rot. Bonds3

About 1-(2,5-dibromophenyl)-3-prop-2-enylurea

1-(2,5-dibromophenyl)-3-prop-2-enylurea (PubChem CID 47033525) has the molecular formula C10H10Br2N2O and a molecular weight of 334.01 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-prop-2-enylurea
PubChem CID47033525
Molecular FormulaC10H10Br2N2O
Molecular Weight334.01 g/mol
Exact Mass331.92
IUPAC Name1-(2,5-dibromophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-4,6H,1,5H2,(H2,13,14,15)
InChIKeyDDUFUEJKDCPQHI-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.01
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-3-prop-2-enylurea
CID 47375927
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576
N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide
CID 55698403
1-(2-bromoanilino)-3-prop-2-enylurea
CID 19762168
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
1-[[(2,5-dibromophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446547
4-bromo-3-(prop-2-enylcarbamothioylamino)benzoic acid
CID 91687024
2-[[(2,5-dibromophenyl)carbamoylamino]methyl]butanoic acid
CID 65223594
1-(3-bromo-5-methylphenyl)-3-prop-2-enylurea
CID 84527152
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
5-[(2,5-dibromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2,5-dibromophenyl)-3-prop-2-enylurea (CID 47033525) is 1-(2,5-dibromophenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-prop-2-enylurea?
The InChIKey is DDUFUEJKDCPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-4,6H,1,5H2,(H2,13,14,15).
What are the key properties of 1-(2,5-dibromophenyl)-3-prop-2-enylurea?
1-(2,5-dibromophenyl)-3-prop-2-enylurea has a molecular weight of 334.01 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-prop-2-enylurea is sourced from PubChem (CID 47033525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).