3-bromo-2-chloro-N,N-diethylbenzamide

C11H13BrClNO — CID 103975185

IUPAC3-bromo-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO/c1-3-14(4-2)11(15)8-6-5-7-9(12)10(8)13/h5-7H,3-4H2,1-2H3
InChIKeyYXYGTLGPEBMAEV-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.58
Rot. Bonds3

About 3-bromo-2-chloro-N,N-diethylbenzamide

3-bromo-2-chloro-N,N-diethylbenzamide (PubChem CID 103975185) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N,N-diethylbenzamide
PubChem CID103975185
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name3-bromo-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO/c1-3-14(4-2)11(15)8-6-5-7-9(12)10(8)13/h5-7H,3-4H2,1-2H3
InChIKeyYXYGTLGPEBMAEV-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
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3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
3-chloro-N,N-diethyl-2-fluorobenzamide
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2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N,N-diethylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N,N-diethylbenzamide (CID 103975185) is 3-bromo-2-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N,N-diethylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N,N-diethylbenzamide?
The InChIKey is YXYGTLGPEBMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-3-14(4-2)11(15)8-6-5-7-9(12)10(8)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-chloro-N,N-diethylbenzamide?
3-bromo-2-chloro-N,N-diethylbenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 103975185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).