2-bromo-N-ethylbenzamide

C9H10BrNO — CID 3450992

IUPAC2-bromo-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyDWCBZUWYUAIEEP-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.20
Rot. Bonds2

About 2-bromo-N-ethylbenzamide

2-bromo-N-ethylbenzamide (PubChem CID 3450992) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-N-ethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-ethylbenzamide
PubChem CID3450992
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-bromo-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyDWCBZUWYUAIEEP-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethylbenzamide?
The IUPAC name of 2-bromo-N-ethylbenzamide (CID 3450992) is 2-bromo-N-ethylbenzamide.
What is the SMILES notation for 2-bromo-N-ethylbenzamide?
The canonical SMILES for 2-bromo-N-ethylbenzamide is CCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethylbenzamide?
The InChIKey is DWCBZUWYUAIEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-ethylbenzamide?
2-bromo-N-ethylbenzamide has a molecular weight of 228.09 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethylbenzamide is sourced from PubChem (CID 3450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).