4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C14H14FN3O — CID 107794747

IUPAC4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)cc1F)c1cccnc1
InChIInChI=1S/C14H14FN3O/c1-9(10-3-2-6-17-8-10)18-14(19)12-5-4-11(16)7-13(12)15/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyKFHWOEOPQSOHDN-VIFPVBQESA-N
MW259.28 g/mol
LogP2.29
Rot. Bonds3

About 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 107794747) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID107794747
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)cc1F)c1cccnc1
InChIInChI=1S/C14H14FN3O/c1-9(10-3-2-6-17-8-10)18-14(19)12-5-4-11(16)7-13(12)15/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyKFHWOEOPQSOHDN-VIFPVBQESA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.29
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

2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 107794747) is 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(N)cc1F)c1cccnc1.
What is the InChIKey of 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is KFHWOEOPQSOHDN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9(10-3-2-6-17-8-10)18-14(19)12-5-4-11(16)7-13(12)15/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 107794747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).