4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide

C14H14FN3O — CID 62680036

IUPAC4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C14H14FN3O/c15-12-9-11(1-2-13(12)16)14(19)18-8-5-10-3-6-17-7-4-10/h1-4,6-7,9H,5,8,16H2,(H,18,19)
InChIKeyXWXGAAZFBFUEMX-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide

4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 62680036) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID62680036
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccncc2)cc1F
InChIInChI=1S/C14H14FN3O/c15-12-9-11(1-2-13(12)16)14(19)18-8-5-10-3-6-17-7-4-10/h1-4,6-7,9H,5,8,16H2,(H,18,19)
InChIKeyXWXGAAZFBFUEMX-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
pyridin-4-ylmethyl 4-amino-3-fluorobenzoate
CID 55102687
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide (CID 62680036) is 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide is Nc1ccc(C(=O)NCCc2ccncc2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is XWXGAAZFBFUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-9-11(1-2-13(12)16)14(19)18-8-5-10-3-6-17-7-4-10/h1-4,6-7,9H,5,8,16H2,(H,18,19).
What are the key properties of 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide?
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 62680036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).