(4-bromo-2-cyanophenyl)urea

C8H6BrN3O — CID 82708837

IUPAC(4-bromo-2-cyanophenyl)urea
SMILESN#Cc1cc(Br)ccc1NC(N)=O
InChIInChI=1S/C8H6BrN3O/c9-6-1-2-7(12-8(11)13)5(3-6)4-10/h1-3H,(H3,11,12,13)
InChIKeyDNJZDZVZTHDWJE-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.81
Rot. Bonds1

About (4-bromo-2-cyanophenyl)urea

(4-bromo-2-cyanophenyl)urea (PubChem CID 82708837) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is (4-bromo-2-cyanophenyl)urea.

Molecular Properties

Compound Name(4-bromo-2-cyanophenyl)urea
PubChem CID82708837
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name(4-bromo-2-cyanophenyl)urea
SMILESN#Cc1cc(Br)ccc1NC(N)=O
InChIInChI=1S/C8H6BrN3O/c9-6-1-2-7(12-8(11)13)5(3-6)4-10/h1-3H,(H3,11,12,13)
InChIKeyDNJZDZVZTHDWJE-UHFFFAOYSA-N
XLogP1.81
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
(E)-4-(4-bromo-2-cyanoanilino)-4-oxobut-2-enoic acid
CID 82702737
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
CID 82695441
(2-cyanophenyl)urea
CID 13155570

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-cyanophenyl)urea?
The IUPAC name of (4-bromo-2-cyanophenyl)urea (CID 82708837) is (4-bromo-2-cyanophenyl)urea.
What is the SMILES notation for (4-bromo-2-cyanophenyl)urea?
The canonical SMILES for (4-bromo-2-cyanophenyl)urea is N#Cc1cc(Br)ccc1NC(N)=O.
What is the InChIKey of (4-bromo-2-cyanophenyl)urea?
The InChIKey is DNJZDZVZTHDWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-1-2-7(12-8(11)13)5(3-6)4-10/h1-3H,(H3,11,12,13).
What are the key properties of (4-bromo-2-cyanophenyl)urea?
(4-bromo-2-cyanophenyl)urea has a molecular weight of 240.06 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-cyanophenyl)urea is sourced from PubChem (CID 82708837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).