(2-bromo-3-methylphenyl)methylurea

C9H11BrN2O — CID 91662331

IUPAC(2-bromo-3-methylphenyl)methylurea
SMILESCc1cccc(CNC(N)=O)c1Br
InChIInChI=1S/C9H11BrN2O/c1-6-3-2-4-7(8(6)10)5-12-9(11)13/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyMNDISVVIJQZLMW-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.93
Rot. Bonds2

About (2-bromo-3-methylphenyl)methylurea

(2-bromo-3-methylphenyl)methylurea (PubChem CID 91662331) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)methylurea.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)methylurea
PubChem CID91662331
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(2-bromo-3-methylphenyl)methylurea
SMILESCc1cccc(CNC(N)=O)c1Br
InChIInChI=1S/C9H11BrN2O/c1-6-3-2-4-7(8(6)10)5-12-9(11)13/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyMNDISVVIJQZLMW-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-bromo-3-methylphenyl)methyl]-3-(3-hydroxybutyl)urea
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1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
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[2-(aminomethyl)phenyl]methylurea
CID 62949906
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
[(2-methylphenyl)methylamino]urea
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(3-methylphenyl)methylurea
CID 60776531
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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)methylurea?
The IUPAC name of (2-bromo-3-methylphenyl)methylurea (CID 91662331) is (2-bromo-3-methylphenyl)methylurea.
What is the SMILES notation for (2-bromo-3-methylphenyl)methylurea?
The canonical SMILES for (2-bromo-3-methylphenyl)methylurea is Cc1cccc(CNC(N)=O)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)methylurea?
The InChIKey is MNDISVVIJQZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-3-2-4-7(8(6)10)5-12-9(11)13/h2-4H,5H2,1H3,(H3,11,12,13).
What are the key properties of (2-bromo-3-methylphenyl)methylurea?
(2-bromo-3-methylphenyl)methylurea has a molecular weight of 243.10 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)methylurea is sourced from PubChem (CID 91662331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).