3-amino-2-bromo-N-methylbenzamide

C8H9BrN2O — CID 100681188

IUPAC3-amino-2-bromo-N-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1Br
InChIInChI=1S/C8H9BrN2O/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQBKAULDQRANFKP-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.39
Rot. Bonds1

About 3-amino-2-bromo-N-methylbenzamide

3-amino-2-bromo-N-methylbenzamide (PubChem CID 100681188) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 3-amino-2-bromo-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-methylbenzamide
PubChem CID100681188
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name3-amino-2-bromo-N-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1Br
InChIInChI=1S/C8H9BrN2O/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQBKAULDQRANFKP-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
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[3-(methylamino)-3-oxopropyl] 3-amino-2-bromobenzoate
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3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
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3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
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3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
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3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
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3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
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1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-methylbenzamide?
The IUPAC name of 3-amino-2-bromo-N-methylbenzamide (CID 100681188) is 3-amino-2-bromo-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-bromo-N-methylbenzamide?
The canonical SMILES for 3-amino-2-bromo-N-methylbenzamide is CNC(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-methylbenzamide?
The InChIKey is QBKAULDQRANFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-11-8(12)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-bromo-N-methylbenzamide?
3-amino-2-bromo-N-methylbenzamide has a molecular weight of 229.08 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-methylbenzamide is sourced from PubChem (CID 100681188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).