2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide

C14H14FN3O2 — CID 107594556

IUPAC2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H14FN3O2/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-11-6-7-17-8-9(11)15/h3-8H,2,16H2,1H3,(H,17,18,19)
InChIKeyBHKMAUVCLMUDRC-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide

2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 107594556) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID107594556
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H14FN3O2/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-11-6-7-17-8-9(11)15/h3-8H,2,16H2,1H3,(H,17,18,19)
InChIKeyBHKMAUVCLMUDRC-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-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
2-amino-N-(2-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
N-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 103874422

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide (CID 107594556) is 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide is CCOc1cccc(N)c1C(=O)Nc1ccncc1F.
What is the InChIKey of 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is BHKMAUVCLMUDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-11-6-7-17-8-9(11)15/h3-8H,2,16H2,1H3,(H,17,18,19).
What are the key properties of 2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide?
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide 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-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 107594556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).