1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea

C14H12Cl2N2O3 — CID 139743679

IUPAC1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
SMILESCOc1ccc(O)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-21-9-3-5-13(19)12(7-9)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyOYIBOUAJNBIIAP-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.35
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea

1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea (PubChem CID 139743679) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
PubChem CID139743679
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
SMILESCOc1ccc(O)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-21-9-3-5-13(19)12(7-9)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyOYIBOUAJNBIIAP-UHFFFAOYSA-N
XLogP4.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741109
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea (CID 139743679) is 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea is COc1ccc(O)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea?
The InChIKey is OYIBOUAJNBIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-21-9-3-5-13(19)12(7-9)18-14(20)17-8-2-4-10(15)11(16)6-8/h2-7,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea?
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea has a molecular weight of 327.17 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea is sourced from PubChem (CID 139743679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).