1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea

C17H12Br2N2O2 — CID 69011660

IUPAC1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)Nc1cccc2ccccc12
InChIInChI=1S/C17H12Br2N2O2/c18-13-8-11(9-14(19)16(13)22)20-17(23)21-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,22H,(H2,20,21,23)
InChIKeyIKYLFJMHBHZBMT-UHFFFAOYSA-N
MW436.10 g/mol
LogP5.71
Rot. Bonds2

About 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea

1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea (PubChem CID 69011660) has the molecular formula C17H12Br2N2O2 and a molecular weight of 436.10 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
PubChem CID69011660
Molecular FormulaC17H12Br2N2O2
Molecular Weight436.10 g/mol
Exact Mass433.93
IUPAC Name1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)Nc1cccc2ccccc12
InChIInChI=1S/C17H12Br2N2O2/c18-13-8-11(9-14(19)16(13)22)20-17(23)21-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,22H,(H2,20,21,23)
InChIKeyIKYLFJMHBHZBMT-UHFFFAOYSA-N
XLogP5.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.10
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69013613
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene
CID 58200224
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea (CID 69011660) is 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea is O=C(Nc1cc(Br)c(O)c(Br)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea?
The InChIKey is IKYLFJMHBHZBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O2/c18-13-8-11(9-14(19)16(13)22)20-17(23)21-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,22H,(H2,20,21,23).
What are the key properties of 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea?
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea has a molecular weight of 436.10 g/mol, XLogP of 5.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 69011660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).