1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea

C14H12Cl4N4O3 — CID 159737263

IUPAC1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
SMILESNC(N)=O.O=C(Nc1ccc(Cl)c(Cl)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2.CH4N2O/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)11(17)12(9)20;2-1(3)4/h1-5,20H,(H2,18,19,21);(H4,2,3,4)
InChIKeyNBZLIBJSOOCTKZ-UHFFFAOYSA-N
MW426.09 g/mol
LogP4.67
Rot. Bonds2

About 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea

1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea (PubChem CID 159737263) has the molecular formula C14H12Cl4N4O3 and a molecular weight of 426.09 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea.

Molecular Properties

Compound Name1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
PubChem CID159737263
Molecular FormulaC14H12Cl4N4O3
Molecular Weight426.09 g/mol
Exact Mass423.97
IUPAC Name1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
SMILESNC(N)=O.O=C(Nc1ccc(Cl)c(Cl)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2.CH4N2O/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)11(17)12(9)20;2-1(3)4/h1-5,20H,(H2,18,19,21);(H4,2,3,4)
InChIKeyNBZLIBJSOOCTKZ-UHFFFAOYSA-N
XLogP4.67
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.09
LogP ≤ 54.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
CID 21184737
1-[4-chloro-2-hydroxy-3-(pyridin-4-ylsulfamoyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 142651434
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 18373567
1-[4-chloro-2-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-3-(2,3-dichlorophenyl)urea
CID 11627659
1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 11662688
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea?
The IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea (CID 159737263) is 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea.
What is the SMILES notation for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea?
The canonical SMILES for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea is NC(N)=O.O=C(Nc1ccc(Cl)c(Cl)c1O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea?
The InChIKey is NBZLIBJSOOCTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O2.CH4N2O/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)11(17)12(9)20;2-1(3)4/h1-5,20H,(H2,18,19,21);(H4,2,3,4).
What are the key properties of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea?
1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea has a molecular weight of 426.09 g/mol, XLogP of 4.67, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea is sourced from PubChem (CID 159737263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).