1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea

C14H19BrN2O — CID 108911211

IUPAC1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11(2)7-9-16-14(18)17-10-8-12-5-3-4-6-13(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+
InChIKeyUIXIXRLWIPTPAX-VQHVLOKHSA-N
MW311.22 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea

1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911211) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911211
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11(2)7-9-16-14(18)17-10-8-12-5-3-4-6-13(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+
InChIKeyUIXIXRLWIPTPAX-VQHVLOKHSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
1-[2-(2-bromophenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914513
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
(2S)-N-[2-(2-bromophenyl)ethyl]-2-(carbamoylamino)propanamide
CID 95312924
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911218
1-[2-(2-bromophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108900661
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
CID 71935204
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea (CID 108911211) is 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea is CC(C)/C=C/NC(=O)NCCc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is UIXIXRLWIPTPAX-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11(2)7-9-16-14(18)17-10-8-12-5-3-4-6-13(12)15/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+.
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 311.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).