1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea

C19H21BrN2O — CID 108905287

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
SMILESO=C(N/C=C/c1ccccc1Br)NCCCCc1ccccc1
InChIInChI=1S/C19H21BrN2O/c20-18-12-5-4-11-17(18)13-15-22-19(23)21-14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-13,15H,6-7,10,14H2,(H2,21,22,23)/b15-13+
InChIKeyBXPRZBZYEMAOLX-FYWRMAATSA-N
MW373.29 g/mol
LogP4.74
Rot. Bonds7

About 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea

1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea (PubChem CID 108905287) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
PubChem CID108905287
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
SMILESO=C(N/C=C/c1ccccc1Br)NCCCCc1ccccc1
InChIInChI=1S/C19H21BrN2O/c20-18-12-5-4-11-17(18)13-15-22-19(23)21-14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-13,15H,6-7,10,14H2,(H2,21,22,23)/b15-13+
InChIKeyBXPRZBZYEMAOLX-FYWRMAATSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108904928
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
methyl 4-[[[(E)-2-(2-bromophenyl)ethenyl]carbamoylamino]methyl]benzoate
CID 108905256
8-phenyloctylcarbamic acid
CID 90271205
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea (CID 108905287) is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea is O=C(N/C=C/c1ccccc1Br)NCCCCc1ccccc1.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea?
The InChIKey is BXPRZBZYEMAOLX-FYWRMAATSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-18-12-5-4-11-17(18)13-15-22-19(23)21-14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-13,15H,6-7,10,14H2,(H2,21,22,23)/b15-13+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea?
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea has a molecular weight of 373.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).