1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea

C13H10BrFN2O2 — CID 22011338

IUPAC1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(F)cc1O)Nc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-9-3-1-2-4-10(9)16-13(19)17-11-6-5-8(15)7-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyDHXOJNFEHNIGMB-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.94
Rot. Bonds2

About 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea

1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea (PubChem CID 22011338) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
PubChem CID22011338
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(F)cc1O)Nc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-9-3-1-2-4-10(9)16-13(19)17-11-6-5-8(15)7-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyDHXOJNFEHNIGMB-UHFFFAOYSA-N
XLogP3.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
aniline;4-[(2-bromophenyl)carbamoylamino]-3-hydroxybenzoic acid
CID 21184630
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
(2-bromo-4-fluorophenyl)urea
CID 28939155
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
CID 107698134
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea (CID 22011338) is 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea is O=C(Nc1ccc(F)cc1O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea?
The InChIKey is DHXOJNFEHNIGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-3-1-2-4-10(9)16-13(19)17-11-6-5-8(15)7-12(11)18/h1-7,18H,(H2,16,17,19).
What are the key properties of 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea?
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea has a molecular weight of 325.14 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea is sourced from PubChem (CID 22011338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).