3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea

C9H11ClN2O — CID 10536010

IUPAC3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea
SMILES[2H]c1cc(Cl)ccc1NC(=O)N(C)C
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)/i5D
InChIKeyBMLIZLVNXIYGCK-UICOGKGYSA-N
MW199.66 g/mol
LogP2.43
Rot. Bonds1

About 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea

3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea (PubChem CID 10536010) has the molecular formula C9H11ClN2O and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea
PubChem CID10536010
Molecular FormulaC9H11ClN2O
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea
SMILES[2H]c1cc(Cl)ccc1NC(=O)N(C)C
InChIInChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)/i5D
InChIKeyBMLIZLVNXIYGCK-UICOGKGYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
3-(4-chlorophenyl)-1-methyl-1-(trichloromethylsulfanyl)urea
CID 21449176
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
CID 110402559
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
1-but-2-ynyl-3-(4-chlorophenyl)-1-methylurea
CID 70628817
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea (CID 10536010) is 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea is [2H]c1cc(Cl)ccc1NC(=O)N(C)C.
What is the InChIKey of 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea?
The InChIKey is BMLIZLVNXIYGCK-UICOGKGYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)/i5D.
What are the key properties of 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea?
3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea has a molecular weight of 199.66 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea is sourced from PubChem (CID 10536010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).