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

C18H14Cl2N2O3 — CID 91210833

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-25-12-5-2-10(3-6-12)21-18(24)22-17-14-8-11(23)4-7-13(14)15(19)9-16(17)20/h2-9,23H,1H3,(H2,21,22,24)
InChIKeyRTQLWKRAUPPUNI-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.50
Rot. Bonds3

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

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea (PubChem CID 91210833) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea
PubChem CID91210833
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-25-12-5-2-10(3-6-12)21-18(24)22-17-14-8-11(23)4-7-13(14)15(19)9-16(17)20/h2-9,23H,1H3,(H2,21,22,24)
InChIKeyRTQLWKRAUPPUNI-UHFFFAOYSA-N
XLogP5.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
CID 91115284
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea
CID 91474575
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
CID 91250846
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(2,4,5-trifluorophenyl)urea
CID 90987709
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 90753247
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea (CID 91210833) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is RTQLWKRAUPPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-25-12-5-2-10(3-6-12)21-18(24)22-17-14-8-11(23)4-7-13(14)15(19)9-16(17)20/h2-9,23H,1H3,(H2,21,22,24).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 377.23 g/mol, XLogP of 5.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 91210833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).