1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea

C11H13Cl2N3O2 — CID 131856609

IUPAC1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea
SMILESCC(C)NC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(2)14-10(17)16-11(18)15-9-4-7(12)3-8(13)5-9/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMLYSJLQSYCTSDE-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.23
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea

1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea (PubChem CID 131856609) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea
PubChem CID131856609
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea
SMILESCC(C)NC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(2)14-10(17)16-11(18)15-9-4-7(12)3-8(13)5-9/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMLYSJLQSYCTSDE-UHFFFAOYSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea (CID 131856609) is 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea is CC(C)NC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea?
The InChIKey is MLYSJLQSYCTSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-6(2)14-10(17)16-11(18)15-9-4-7(12)3-8(13)5-9/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea?
1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea has a molecular weight of 290.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(propan-2-ylcarbamoyl)urea is sourced from PubChem (CID 131856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).