3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide

C15H16FN3O — CID 60862531

IUPAC3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1c(N)cc(C(=O)NC(C)c2ccccn2)cc1F
InChIInChI=1S/C15H16FN3O/c1-9-12(16)7-11(8-13(9)17)15(20)19-10(2)14-5-3-4-6-18-14/h3-8,10H,17H2,1-2H3,(H,19,20)
InChIKeyCQNOTVPRQFBKKR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide

3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 60862531) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID60862531
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1c(N)cc(C(=O)NC(C)c2ccccn2)cc1F
InChIInChI=1S/C15H16FN3O/c1-9-12(16)7-11(8-13(9)17)15(20)19-10(2)14-5-3-4-6-18-14/h3-8,10H,17H2,1-2H3,(H,19,20)
InChIKeyCQNOTVPRQFBKKR-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.60
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-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 60862531) is 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide is Cc1c(N)cc(C(=O)NC(C)c2ccccn2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is CQNOTVPRQFBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-12(16)7-11(8-13(9)17)15(20)19-10(2)14-5-3-4-6-18-14/h3-8,10H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 60862531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).