2-bromo-3-(ethylamino)-N-methylbenzamide

C10H13BrN2O — CID 131039733

IUPAC2-bromo-3-(ethylamino)-N-methylbenzamide
SMILESCCNc1cccc(C(=O)NC)c1Br
InChIInChI=1S/C10H13BrN2O/c1-3-13-8-6-4-5-7(9(8)11)10(14)12-2/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyQVEBORMANBWTJN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.24
Rot. Bonds3

About 2-bromo-3-(ethylamino)-N-methylbenzamide

2-bromo-3-(ethylamino)-N-methylbenzamide (PubChem CID 131039733) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-3-(ethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-3-(ethylamino)-N-methylbenzamide
PubChem CID131039733
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-3-(ethylamino)-N-methylbenzamide
SMILESCCNc1cccc(C(=O)NC)c1Br
InChIInChI=1S/C10H13BrN2O/c1-3-13-8-6-4-5-7(9(8)11)10(14)12-2/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyQVEBORMANBWTJN-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(ethylamino)-N-methylbenzamide?
The IUPAC name of 2-bromo-3-(ethylamino)-N-methylbenzamide (CID 131039733) is 2-bromo-3-(ethylamino)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-3-(ethylamino)-N-methylbenzamide?
The canonical SMILES for 2-bromo-3-(ethylamino)-N-methylbenzamide is CCNc1cccc(C(=O)NC)c1Br.
What is the InChIKey of 2-bromo-3-(ethylamino)-N-methylbenzamide?
The InChIKey is QVEBORMANBWTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-13-8-6-4-5-7(9(8)11)10(14)12-2/h4-6,13H,3H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-3-(ethylamino)-N-methylbenzamide?
2-bromo-3-(ethylamino)-N-methylbenzamide has a molecular weight of 257.13 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(ethylamino)-N-methylbenzamide is sourced from PubChem (CID 131039733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).