1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea

C12H15BrN2O — CID 108910473

IUPAC1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-9(2)15-12(16)14-8-7-10-3-5-11(13)6-4-10/h3-6H,1,7-8H2,2H3,(H2,14,15,16)
InChIKeyMZEUXKGHHAEOIV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea

1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea (PubChem CID 108910473) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
PubChem CID108910473
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-9(2)15-12(16)14-8-7-10-3-5-11(13)6-4-10/h3-6H,1,7-8H2,2H3,(H2,14,15,16)
InChIKeyMZEUXKGHHAEOIV-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
1-[2-(4-bromophenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108902376
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea (CID 108910473) is 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea?
The InChIKey is MZEUXKGHHAEOIV-UHFFFAOYSA-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/h3-6H,1,7-8H2,2H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea?
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea has a molecular weight of 283.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).