1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea

C12H10Cl2N2O3 — CID 139933614

IUPAC1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
SMILESO=C(NC1=CC(=O)OCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-2-1-7(5-10(9)14)15-12(18)16-8-3-4-19-11(17)6-8/h1-2,5-6H,3-4H2,(H2,15,16,18)
InChIKeyJWZLUSPZACQXAW-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.95
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea

1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea (PubChem CID 139933614) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
PubChem CID139933614
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
SMILESO=C(NC1=CC(=O)OCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-2-1-7(5-10(9)14)15-12(18)16-8-3-4-19-11(17)6-8/h1-2,5-6H,3-4H2,(H2,15,16,18)
InChIKeyJWZLUSPZACQXAW-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)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-butyl-3-chlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea
CID 57110169
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 57022206
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
CID 27102156
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea (CID 139933614) is 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea is O=C(NC1=CC(=O)OCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
The InChIKey is JWZLUSPZACQXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-9-2-1-7(5-10(9)14)15-12(18)16-8-3-4-19-11(17)6-8/h1-2,5-6H,3-4H2,(H2,15,16,18).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea?
1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea has a molecular weight of 301.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(6-oxo-2,3-dihydropyran-4-yl)urea is sourced from PubChem (CID 139933614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).