3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea

C16H16Cl2N2O — CID 3596842

IUPAC3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20(8-7-12-5-3-2-4-6-12)16(21)19-15-10-13(17)9-14(18)11-15/h2-6,9-11H,7-8H2,1H3,(H,19,21)
InChIKeyPZUJCMCVJVVNJV-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.70
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea

3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 3596842) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID3596842
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20(8-7-12-5-3-2-4-6-12)16(21)19-15-10-13(17)9-14(18)11-15/h2-6,9-11H,7-8H2,1H3,(H,19,21)
InChIKeyPZUJCMCVJVVNJV-UHFFFAOYSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 4986373
3-(5,5-dioxodibenzothiophen-2-yl)-1-methyl-1-(2-phenylethyl)urea
CID 10157350
methyl 4-[(3,5-dichlorophenyl)carbamoyl-methylamino]butanoate
CID 103858616
3-[(3-bromo-5-chlorophenyl)carbamoyl-methylamino]propanoic acid
CID 122080167
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
3-(4-chlorophenyl)-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3769604
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea (CID 3596842) is 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is PZUJCMCVJVVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(8-7-12-5-3-2-4-6-12)16(21)19-15-10-13(17)9-14(18)11-15/h2-6,9-11H,7-8H2,1H3,(H,19,21).
What are the key properties of 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea?
3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 323.22 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 3596842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).