1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea

C17H10Cl4N2O2 — CID 91474575

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C17H10Cl4N2O2/c18-8-3-9(19)5-10(4-8)22-17(25)23-16-13-6-11(24)1-2-12(13)14(20)7-15(16)21/h1-7,24H,(H2,22,23,25)
InChIKeySVJCJRHEWMJQCL-UHFFFAOYSA-N
MW416.09 g/mol
LogP6.80
Rot. Bonds2

About 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea (PubChem CID 91474575) has the molecular formula C17H10Cl4N2O2 and a molecular weight of 416.09 g/mol. Its IUPAC name is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea
PubChem CID91474575
Molecular FormulaC17H10Cl4N2O2
Molecular Weight416.09 g/mol
Exact Mass413.95
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C17H10Cl4N2O2/c18-8-3-9(19)5-10(4-8)22-17(25)23-16-13-6-11(24)1-2-12(13)14(20)7-15(16)21/h1-7,24H,(H2,22,23,25)
InChIKeySVJCJRHEWMJQCL-UHFFFAOYSA-N
XLogP6.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.09
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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-(4-methoxyphenyl)urea
CID 91210833
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(2,4,5-trifluorophenyl)urea
CID 90987709
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea
CID 142211345
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
CID 91250846
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 90753247
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
N-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea (CID 91474575) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1c(Cl)cc(Cl)c2ccc(O)cc12.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is SVJCJRHEWMJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O2/c18-8-3-9(19)5-10(4-8)22-17(25)23-16-13-6-11(24)1-2-12(13)14(20)7-15(16)21/h1-7,24H,(H2,22,23,25).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 416.09 g/mol, XLogP of 6.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 91474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).