3-chloro-N-ethyl-2-fluorobenzamide

C9H9ClFNO — CID 80948021

IUPAC3-chloro-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO/c1-2-12-9(13)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNHLQLGZGKHTXTL-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.23
Rot. Bonds2

About 3-chloro-N-ethyl-2-fluorobenzamide

3-chloro-N-ethyl-2-fluorobenzamide (PubChem CID 80948021) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-fluorobenzamide
PubChem CID80948021
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-chloro-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO/c1-2-12-9(13)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNHLQLGZGKHTXTL-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-ethyl-2-fluorobenzamide (CID 80948021) is 3-chloro-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-ethyl-2-fluorobenzamide is CCNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-ethyl-2-fluorobenzamide?
The InChIKey is NHLQLGZGKHTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-12-9(13)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-ethyl-2-fluorobenzamide?
3-chloro-N-ethyl-2-fluorobenzamide has a molecular weight of 201.63 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 80948021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).