1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

C17H12Cl2N2O2 — CID 54581581

IUPAC1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H12Cl2N2O2/c18-11-5-7-16(14(19)8-11)21-17(23)20-15-3-1-2-10-4-6-12(22)9-13(10)15/h1-9,22H,(H2,20,21,23)
InChIKeySDIOEEPCYSUHDX-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.50
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54581581) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54581581
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H12Cl2N2O2/c18-11-5-7-16(14(19)8-11)21-17(23)20-15-3-1-2-10-4-6-12(22)9-13(10)15/h1-9,22H,(H2,20,21,23)
InChIKeySDIOEEPCYSUHDX-UHFFFAOYSA-N
XLogP5.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (CID 54581581) is 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is SDIOEEPCYSUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-11-5-7-16(14(19)8-11)21-17(23)20-15-3-1-2-10-4-6-12(22)9-13(10)15/h1-9,22H,(H2,20,21,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 347.20 g/mol, XLogP of 5.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54581581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).