3-chloro-N-ethyl-5-fluorobenzamide

C9H9ClFNO — CID 125115811

IUPAC3-chloro-N-ethyl-5-fluorobenzamide
SMILESCCNC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-12-9(13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyAFNYLOPFIRDBTR-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.23
Rot. Bonds2

About 3-chloro-N-ethyl-5-fluorobenzamide

3-chloro-N-ethyl-5-fluorobenzamide (PubChem CID 125115811) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-fluorobenzamide
PubChem CID125115811
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-chloro-N-ethyl-5-fluorobenzamide
SMILESCCNC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-12-9(13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyAFNYLOPFIRDBTR-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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Related Compounds

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1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
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3,5-dichloro-N-propylbenzamide
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N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
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CID 24724053
2-chloro-1-(3-chloro-5-fluorophenyl)butan-1-one
CID 130820578
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
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N-ethyl-4-fluoro-3-hydroxybenzamide
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CID 107365336
3-chloro-5-fluoro-N-[[(5S)-8-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-ethyl-5-fluorobenzamide (CID 125115811) is 3-chloro-N-ethyl-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-ethyl-5-fluorobenzamide is CCNC(=O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-5-fluorobenzamide?
The InChIKey is AFNYLOPFIRDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-12-9(13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-ethyl-5-fluorobenzamide?
3-chloro-N-ethyl-5-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-5-fluorobenzamide is sourced from PubChem (CID 125115811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).