2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide

C15H14FN3O — CID 113023833

IUPAC2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C15H14FN3O/c1-2-9-17-11-7-8-14(18-10-11)19-15(20)12-5-3-4-6-13(12)16/h2-8,10,17H,1,9H2,(H,18,19,20)
InChIKeyNFONBGTZCWAZQZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.07
Rot. Bonds5

About 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide

2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide (PubChem CID 113023833) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
PubChem CID113023833
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C15H14FN3O/c1-2-9-17-11-7-8-14(18-10-11)19-15(20)12-5-3-4-6-13(12)16/h2-8,10,17H,1,9H2,(H,18,19,20)
InChIKeyNFONBGTZCWAZQZ-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023878
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-fluoro-N-prop-2-enylbenzamide
CID 4125319

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide (CID 113023833) is 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide is C=CCNc1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide?
The InChIKey is NFONBGTZCWAZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-9-17-11-7-8-14(18-10-11)19-15(20)12-5-3-4-6-13(12)16/h2-8,10,17H,1,9H2,(H,18,19,20).
What are the key properties of 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide?
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide has a molecular weight of 271.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113023833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).