1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea

C21H14Br2N2O2 — CID 90741170

IUPAC1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)Nc1c(Br)cc(Br)c2ccc(O)cc12
InChIInChI=1S/C21H14Br2N2O2/c22-18-11-19(23)20(17-10-15(26)7-8-16(17)18)25-21(27)24-14-6-5-12-3-1-2-4-13(12)9-14/h1-11,26H,(H2,24,25,27)
InChIKeyFZJUJFJBAUOMAH-UHFFFAOYSA-N
MW486.16 g/mol
LogP6.87
Rot. Bonds2

About 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea

1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea (PubChem CID 90741170) has the molecular formula C21H14Br2N2O2 and a molecular weight of 486.16 g/mol. Its IUPAC name is 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
PubChem CID90741170
Molecular FormulaC21H14Br2N2O2
Molecular Weight486.16 g/mol
Exact Mass483.94
IUPAC Name1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)Nc1c(Br)cc(Br)c2ccc(O)cc12
InChIInChI=1S/C21H14Br2N2O2/c22-18-11-19(23)20(17-10-15(26)7-8-16(17)18)25-21(27)24-14-6-5-12-3-1-2-4-13(12)9-14/h1-11,26H,(H2,24,25,27)
InChIKeyFZJUJFJBAUOMAH-UHFFFAOYSA-N
XLogP6.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.16
LogP ≤ 56.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea (CID 90741170) is 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea is O=C(Nc1ccc2ccccc2c1)Nc1c(Br)cc(Br)c2ccc(O)cc12.
What is the InChIKey of 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The InChIKey is FZJUJFJBAUOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2N2O2/c22-18-11-19(23)20(17-10-15(26)7-8-16(17)18)25-21(27)24-14-6-5-12-3-1-2-4-13(12)9-14/h1-11,26H,(H2,24,25,27).
What are the key properties of 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea has a molecular weight of 486.16 g/mol, XLogP of 6.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 90741170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).