(2-bromo-5-methylphenyl)urea

C8H9BrN2O — CID 82707313

IUPAC(2-bromo-5-methylphenyl)urea
SMILESCc1ccc(Br)c(NC(N)=O)c1
InChIInChI=1S/C8H9BrN2O/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyFQEWAFNCEFWDQP-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.25
Rot. Bonds1

About (2-bromo-5-methylphenyl)urea

(2-bromo-5-methylphenyl)urea (PubChem CID 82707313) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)urea.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)urea
PubChem CID82707313
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name(2-bromo-5-methylphenyl)urea
SMILESCc1ccc(Br)c(NC(N)=O)c1
InChIInChI=1S/C8H9BrN2O/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyFQEWAFNCEFWDQP-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)thiourea
CID 82757187
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)urea?
The IUPAC name of (2-bromo-5-methylphenyl)urea (CID 82707313) is (2-bromo-5-methylphenyl)urea.
What is the SMILES notation for (2-bromo-5-methylphenyl)urea?
The canonical SMILES for (2-bromo-5-methylphenyl)urea is Cc1ccc(Br)c(NC(N)=O)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)urea?
The InChIKey is FQEWAFNCEFWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (2-bromo-5-methylphenyl)urea?
(2-bromo-5-methylphenyl)urea has a molecular weight of 229.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)urea is sourced from PubChem (CID 82707313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).