2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide

C14H14FN3O2 — CID 43706604

IUPAC2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
SMILESCCOc1ncccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H14FN3O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyACKHJFPJJMPUPP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide

2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide (PubChem CID 43706604) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
PubChem CID43706604
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
SMILESCCOc1ncccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H14FN3O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2,16H2,1H3,(H,18,19)
InChIKeyACKHJFPJJMPUPP-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
2-amino-N-(2-ethoxyphenyl)-5-hydroxybenzamide
CID 107073822
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
4-fluoro-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 115745724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide (CID 43706604) is 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide is CCOc1ncccc1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide?
The InChIKey is ACKHJFPJJMPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-20-14-12(4-3-7-17-14)18-13(19)10-8-9(15)5-6-11(10)16/h3-8H,2,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide?
2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide has a molecular weight of 275.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 43706604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).