N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide

C14H14FN3O — CID 115658048

IUPACN-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc(F)n1
InChIInChI=1S/C14H14FN3O/c1-10(19)17-12-6-3-2-5-11(12)9-16-14-8-4-7-13(15)18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyLAFQLHOPONZGRR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.79
Rot. Bonds4

About N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide

N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide (PubChem CID 115658048) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
PubChem CID115658048
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc(F)n1
InChIInChI=1S/C14H14FN3O/c1-10(19)17-12-6-3-2-5-11(12)9-16-14-8-4-7-13(15)18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyLAFQLHOPONZGRR-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
CID 75517137
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide (CID 115658048) is N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cccc(F)n1.
What is the InChIKey of N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide?
The InChIKey is LAFQLHOPONZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-10(19)17-12-6-3-2-5-11(12)9-16-14-8-4-7-13(15)18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide?
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide has a molecular weight of 259.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 115658048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).