1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea

C14H11Cl3N2O2 — CID 175721828

IUPAC1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCOc1cc(Cl)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20)
InChIKeyZVBZNTYNMCGZFL-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.30
Rot. Bonds3

About 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea

1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 175721828) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID175721828
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCOc1cc(Cl)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20)
InChIKeyZVBZNTYNMCGZFL-UHFFFAOYSA-N
XLogP5.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
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
(3-chloro-5-methoxyphenyl)hydrazine;phosphoric acid
CID 174887306
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
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-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea (CID 175721828) is 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea is COc1cc(Cl)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is ZVBZNTYNMCGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 345.61 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 175721828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).