1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea

C12H11ClN2O — CID 139238556

IUPAC1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea
SMILESO=C(NC1=CCC=C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-5-7-11(8-6-9)15-12(16)14-10-3-1-2-4-10/h1,3-8H,2H2,(H2,14,15,16)
InChIKeyBUUSPDCYIYCZSC-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea

1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea (PubChem CID 139238556) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea
PubChem CID139238556
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea
SMILESO=C(NC1=CCC=C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-5-7-11(8-6-9)15-12(16)14-10-3-1-2-4-10/h1,3-8H,2H2,(H2,14,15,16)
InChIKeyBUUSPDCYIYCZSC-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea 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-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea (CID 139238556) is 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea is O=C(NC1=CCC=C1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea?
The InChIKey is BUUSPDCYIYCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-5-7-11(8-6-9)15-12(16)14-10-3-1-2-4-10/h1,3-8H,2H2,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea?
1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea has a molecular weight of 234.69 g/mol, XLogP of 3.31, 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-cyclopenta-1,4-dien-1-ylurea is sourced from PubChem (CID 139238556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).