5-bromo-2-chloro-N-(2-methoxyethyl)benzamide

C10H11BrClNO2 — CID 2203609

IUPAC5-bromo-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-15-5-4-13-10(14)8-6-7(11)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyBLNFSPGBQRZMJC-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.48
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide

5-bromo-2-chloro-N-(2-methoxyethyl)benzamide (PubChem CID 2203609) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyethyl)benzamide
PubChem CID2203609
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name5-bromo-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-15-5-4-13-10(14)8-6-7(11)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyBLNFSPGBQRZMJC-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide (CID 2203609) is 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide?
The InChIKey is BLNFSPGBQRZMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-15-5-4-13-10(14)8-6-7(11)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide?
5-bromo-2-chloro-N-(2-methoxyethyl)benzamide has a molecular weight of 292.56 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2203609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).