4-bromo-N-methoxy-N-methylbenzamide

C9H10BrNO2 — CID 10999252

IUPAC4-bromo-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyYEHZWOBPONLEEH-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.08
Rot. Bonds2

About 4-bromo-N-methoxy-N-methylbenzamide

4-bromo-N-methoxy-N-methylbenzamide (PubChem CID 10999252) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methylbenzamide
PubChem CID10999252
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-bromo-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyYEHZWOBPONLEEH-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-methoxy-N-methylbenzamide (CID 10999252) is 4-bromo-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methoxy-N-methylbenzamide?
The InChIKey is YEHZWOBPONLEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-bromo-N-methoxy-N-methylbenzamide?
4-bromo-N-methoxy-N-methylbenzamide has a molecular weight of 244.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 10999252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).