3-chloro-N,N-diethyl-2-fluorobenzamide

C11H13ClFNO — CID 80949009

IUPAC3-chloro-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c1-3-14(4-2)11(15)8-6-5-7-9(12)10(8)13/h5-7H,3-4H2,1-2H3
InChIKeyGCFSOKIZTPALHK-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.96
Rot. Bonds3

About 3-chloro-N,N-diethyl-2-fluorobenzamide

3-chloro-N,N-diethyl-2-fluorobenzamide (PubChem CID 80949009) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-2-fluorobenzamide
PubChem CID80949009
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-chloro-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c1-3-14(4-2)11(15)8-6-5-7-9(12)10(8)13/h5-7H,3-4H2,1-2H3
InChIKeyGCFSOKIZTPALHK-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 81267588
3-[(3-chloro-2-fluorobenzoyl)-ethylamino]propanoic acid
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N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-2-fluorobenzamide?
The IUPAC name of 3-chloro-N,N-diethyl-2-fluorobenzamide (CID 80949009) is 3-chloro-N,N-diethyl-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N,N-diethyl-2-fluorobenzamide is CCN(CC)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N,N-diethyl-2-fluorobenzamide?
The InChIKey is GCFSOKIZTPALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/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-chloro-N,N-diethyl-2-fluorobenzamide?
3-chloro-N,N-diethyl-2-fluorobenzamide has a molecular weight of 229.68 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-2-fluorobenzamide is sourced from PubChem (CID 80949009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).