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

C16H12BrN3O — CID 108908790

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H12BrN3O/c17-14-5-1-12(2-6-14)9-10-19-16(21)20-15-7-3-13(11-18)4-8-15/h1-10H,(H2,19,20,21)/b10-9+
InChIKeyQDNVYPSJBGXNIL-MDZDMXLPSA-N
MW342.20 g/mol
LogP4.11
Rot. Bonds3

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

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea (PubChem CID 108908790) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
PubChem CID108908790
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H12BrN3O/c17-14-5-1-12(2-6-14)9-10-19-16(21)20-15-7-3-13(11-18)4-8-15/h1-10H,(H2,19,20,21)/b10-9+
InChIKeyQDNVYPSJBGXNIL-MDZDMXLPSA-N
XLogP4.11
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)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-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
N-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]-2-hydroxyacetamide
CID 125463979
4-[(E)-2-[3,5-bis[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 102018905
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108908653
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea (CID 108908790) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea is N#Cc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea?
The InChIKey is QDNVYPSJBGXNIL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-5-1-12(2-6-14)9-10-19-16(21)20-15-7-3-13(11-18)4-8-15/h1-10H,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea has a molecular weight of 342.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea is sourced from PubChem (CID 108908790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).