1-benzyl-3-(4-methylidenearsanylphenyl)urea

C15H15AsN2O — CID 158613945

IUPAC1-benzyl-3-(4-methylidenearsanylphenyl)urea
SMILESC=[As]c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H15AsN2O/c1-16-13-7-9-14(10-8-13)18-15(19)17-11-12-5-3-2-4-6-12/h2-10H,1,11H2,(H2,17,18,19)
InChIKeyGYGPQAYRRWPWBG-UHFFFAOYSA-N
MW314.22 g/mol
LogP1.77
Rot. Bonds4

About 1-benzyl-3-(4-methylidenearsanylphenyl)urea

1-benzyl-3-(4-methylidenearsanylphenyl)urea (PubChem CID 158613945) has the molecular formula C15H15AsN2O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylidenearsanylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-methylidenearsanylphenyl)urea
PubChem CID158613945
Molecular FormulaC15H15AsN2O
Molecular Weight314.22 g/mol
Exact Mass314.04
IUPAC Name1-benzyl-3-(4-methylidenearsanylphenyl)urea
SMILESC=[As]c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H15AsN2O/c1-16-13-7-9-14(10-8-13)18-15(19)17-11-12-5-3-2-4-6-12/h2-10H,1,11H2,(H2,17,18,19)
InChIKeyGYGPQAYRRWPWBG-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(4-methylidenearsanylphenyl)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-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-[4-(3-aminoprop-1-ynyl)phenyl]-3-benzylurea
CID 107654436
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
CID 110748436
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylidenearsanylphenyl)urea?
The IUPAC name of 1-benzyl-3-(4-methylidenearsanylphenyl)urea (CID 158613945) is 1-benzyl-3-(4-methylidenearsanylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-methylidenearsanylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(4-methylidenearsanylphenyl)urea is C=[As]c1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylidenearsanylphenyl)urea?
The InChIKey is GYGPQAYRRWPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15AsN2O/c1-16-13-7-9-14(10-8-13)18-15(19)17-11-12-5-3-2-4-6-12/h2-10H,1,11H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(4-methylidenearsanylphenyl)urea?
1-benzyl-3-(4-methylidenearsanylphenyl)urea has a molecular weight of 314.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylidenearsanylphenyl)urea is sourced from PubChem (CID 158613945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).