2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide

C15H14ClFN2O2 — CID 38537865

IUPAC2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
SMILESCCOc1ncccc1CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-2-21-15-10(4-3-7-18-15)9-19-14(20)12-6-5-11(17)8-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyHQCUQQBZTZQJFE-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.20
Rot. Bonds5

About 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide

2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide (PubChem CID 38537865) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
PubChem CID38537865
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
SMILESCCOc1ncccc1CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-2-21-15-10(4-3-7-18-15)9-19-14(20)12-6-5-11(17)8-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyHQCUQQBZTZQJFE-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 38539516
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 38538539
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
2-(2-chloro-4-fluorophenyl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide
CID 56755065
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
2-chloro-5-fluoro-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzamide
CID 53148228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide (CID 38537865) is 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide is CCOc1ncccc1CNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide?
The InChIKey is HQCUQQBZTZQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-2-21-15-10(4-3-7-18-15)9-19-14(20)12-6-5-11(17)8-13(12)16/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide?
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 38537865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).