1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea

C11H13ClN2O — CID 108909875

IUPAC1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVKNNOEXFQYVHSR-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea

1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909875) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909875
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVKNNOEXFQYVHSR-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-(2-methylprop-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-(4-chlorophenyl)-3-ethenylurea
CID 108909138
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
CID 108909956
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea
CID 137156637
3-[(4-hydroxyphenyl)carbamoylamino]-2-methylprop-2-enoic acid
CID 175278897
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
4-[(4-chlorophenyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992167
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea (CID 108909875) is 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is VKNNOEXFQYVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 224.69 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).