1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea

C14H12Cl2N2O2 — CID 64787332

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8-2-3-9(6-11(8)15)17-14(20)18-10-4-5-13(19)12(16)7-10/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyFDEAXPSURCBIER-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.65
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 64787332) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID64787332
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8-2-3-9(6-11(8)15)17-14(20)18-10-4-5-13(19)12(16)7-10/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyFDEAXPSURCBIER-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
1-(3-chloro-4-methylphenyl)-3-cyanourea
CID 115571570
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(2-aminoethyl)-3-(3-chloro-4-hydroxyphenyl)urea
CID 66653179
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea (CID 64787332) is 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is FDEAXPSURCBIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-2-3-9(6-11(8)15)17-14(20)18-10-4-5-13(19)12(16)7-10/h2-7,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 311.17 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 64787332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).