3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea

C16H15ClF2N2O2 — CID 27868239

IUPAC3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(16(22)20-13-6-4-12(17)5-7-13)10-11-2-8-14(9-3-11)23-15(18)19/h2-9,15H,10H2,1H3,(H,20,22)
InChIKeyJQABDSDRIFNZKI-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.61
Rot. Bonds5

About 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea

3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea (PubChem CID 27868239) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
PubChem CID27868239
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(16(22)20-13-6-4-12(17)5-7-13)10-11-2-8-14(9-3-11)23-15(18)19/h2-9,15H,10H2,1H3,(H,20,22)
InChIKeyJQABDSDRIFNZKI-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
CID 49285325
N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide
CID 71937273
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-1-methylurea
CID 51944888
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
CID 60603061
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 55696852
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
3-[4-(difluoromethoxy)phenyl]-1-[(4-ethylphenyl)methyl]-1-methylthiourea
CID 8680660
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea (CID 27868239) is 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea is CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea?
The InChIKey is JQABDSDRIFNZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-21(16(22)20-13-6-4-12(17)5-7-13)10-11-2-8-14(9-3-11)23-15(18)19/h2-9,15H,10H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea?
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea has a molecular weight of 340.76 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 27868239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).