1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea

C15H14Cl2N2O3 — CID 108869520

IUPAC1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-13-6-12(7-14(8-13)22-2)19-15(20)18-11-4-9(16)3-10(17)5-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyFSRBDALLOLTBDU-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.65
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea

1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869520) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869520
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-13-6-12(7-14(8-13)22-2)19-15(20)18-11-4-9(16)3-10(17)5-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyFSRBDALLOLTBDU-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60514415
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea (CID 108869520) is 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is FSRBDALLOLTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-21-13-6-12(7-14(8-13)22-2)19-15(20)18-11-4-9(16)3-10(17)5-11/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 341.19 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).