1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea

C14H13BrN2O2 — CID 15645616

IUPAC1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C14H13BrN2O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyIEKHSIAWESEJEI-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.48
Rot. Bonds3

About 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea

1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea (PubChem CID 15645616) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
PubChem CID15645616
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C14H13BrN2O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyIEKHSIAWESEJEI-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055
1-(4-amino-2-hydroxyphenyl)-3-benzylurea
CID 15553207
1-benzyl-3-(5-bromo-2-fluorophenyl)urea
CID 103658658
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
3-(benzylcarbamoylamino)-4-bromobenzoic acid
CID 107812654
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
1-(4-bromo-2-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 47032119
1-(2-aminophenyl)-3-benzylurea
CID 86135193
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-[(3-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108898844

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea (CID 15645616) is 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea is O=C(NCc1ccccc1)Nc1ccc(Br)cc1O.
What is the InChIKey of 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea?
The InChIKey is IEKHSIAWESEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea?
1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea has a molecular weight of 321.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea is sourced from PubChem (CID 15645616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).