2-bromo-N-(2-chloroethyl)benzamide

C9H9BrClNO — CID 12793324

IUPAC2-bromo-N-(2-chloroethyl)benzamide
SMILESO=C(NCCCl)c1ccccc1Br
InChIInChI=1S/C9H9BrClNO/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6H2,(H,12,13)
InChIKeyREZJXZUOIVQUAP-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-N-(2-chloroethyl)benzamide

2-bromo-N-(2-chloroethyl)benzamide (PubChem CID 12793324) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-N-(2-chloroethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloroethyl)benzamide
PubChem CID12793324
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-N-(2-chloroethyl)benzamide
SMILESO=C(NCCCl)c1ccccc1Br
InChIInChI=1S/C9H9BrClNO/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6H2,(H,12,13)
InChIKeyREZJXZUOIVQUAP-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
CID 114309215
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
CID 108571210
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CID 106131142
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloroethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-chloroethyl)benzamide (CID 12793324) is 2-bromo-N-(2-chloroethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-chloroethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-chloroethyl)benzamide is O=C(NCCCl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-chloroethyl)benzamide?
The InChIKey is REZJXZUOIVQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-bromo-N-(2-chloroethyl)benzamide?
2-bromo-N-(2-chloroethyl)benzamide has a molecular weight of 262.53 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloroethyl)benzamide is sourced from PubChem (CID 12793324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).