1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea

C14H9BrClN3O2 — CID 11245544

IUPAC1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1Cl
InChIInChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
InChIKeyDBRVLDHXULWYPR-UHFFFAOYSA-N
MW366.60 g/mol
LogP4.32
Rot. Bonds2

About 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea

1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea (PubChem CID 11245544) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea
PubChem CID11245544
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1Cl
InChIInChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
InChIKeyDBRVLDHXULWYPR-UHFFFAOYSA-N
XLogP4.32
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea;hydrochloride
CID 45263183
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
CID 10383212
3-[(2-bromophenyl)carbamoylamino]-2-hydroxy-N-phenylbenzamide;1-(2-bromophenyl)-3-(3-cyano-2-hydroxy-4-methylphenyl)urea
CID 70107453
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
aniline;4-[(2-bromophenyl)carbamoylamino]-3-hydroxybenzoic acid
CID 21184630

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea (CID 11245544) is 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea is N#Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea?
The InChIKey is DBRVLDHXULWYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21).
What are the key properties of 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea?
1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea has a molecular weight of 366.60 g/mol, XLogP of 4.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea is sourced from PubChem (CID 11245544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).