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

C13H12FN3O — CID 62678700

IUPAC4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccccn2)cc1F
InChIInChI=1S/C13H12FN3O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18)
InChIKeyVRHPFXJYMNJHOX-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.73
Rot. Bonds3

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

4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 62678700) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID62678700
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccccn2)cc1F
InChIInChI=1S/C13H12FN3O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18)
InChIKeyVRHPFXJYMNJHOX-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.73
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

4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide (CID 62678700) is 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide is Nc1ccc(C(=O)NCc2ccccn2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VRHPFXJYMNJHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h1-7H,8,15H2,(H,17,18).
What are the key properties of 4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide?
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 245.26 g/mol, XLogP of 1.73, 3 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-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 62678700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).