3-[(4-chlorophenyl)methyl]-1,1-dimethylurea

C10H13ClN2O — CID 2263226

IUPAC3-[(4-chlorophenyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyYTQYQKJCVPKRHR-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.11
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea

3-[(4-chlorophenyl)methyl]-1,1-dimethylurea (PubChem CID 2263226) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1,1-dimethylurea
PubChem CID2263226
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-[(4-chlorophenyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyYTQYQKJCVPKRHR-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea (CID 2263226) is 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea?
The InChIKey is YTQYQKJCVPKRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea?
3-[(4-chlorophenyl)methyl]-1,1-dimethylurea has a molecular weight of 212.68 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 2263226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).