1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea

C12H15BrN2O — CID 108908688

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N/C=C/c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-9(2)15-12(16)14-8-7-10-3-5-11(13)6-4-10/h3-9H,1-2H3,(H2,14,15,16)/b8-7+
InChIKeyIEYQTJKVRYXUCD-BQYQJAHWSA-N
MW283.17 g/mol
LogP3.13
Rot. Bonds3

About 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea

1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea (PubChem CID 108908688) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
PubChem CID108908688
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N/C=C/c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-9(2)15-12(16)14-8-7-10-3-5-11(13)6-4-10/h3-9H,1-2H3,(H2,14,15,16)/b8-7+
InChIKeyIEYQTJKVRYXUCD-BQYQJAHWSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
CID 108908805
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908830
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108908849
tert-butyl N-[2-[[(E)-2-(4-bromophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108909019
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108908828
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
CID 108908790
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea (CID 108908688) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea is CC(C)NC(=O)N/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea?
The InChIKey is IEYQTJKVRYXUCD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9(2)15-12(16)14-8-7-10-3-5-11(13)6-4-10/h3-9H,1-2H3,(H2,14,15,16)/b8-7+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea has a molecular weight of 283.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea is sourced from PubChem (CID 108908688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).