2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

C20H18FN3O — CID 113011760

IUPAC2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-22-19-11-10-16(13-23-19)24-20(25)17-4-2-3-5-18(17)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyIRSBKJUWHXBJGU-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.39
Rot. Bonds5

About 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113011760) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113011760
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-22-19-11-10-16(13-23-19)24-20(25)17-4-2-3-5-18(17)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyIRSBKJUWHXBJGU-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (CID 113011760) is 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3ccccc3F)cn2)cc1.
What is the InChIKey of 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is IRSBKJUWHXBJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-22-19-11-10-16(13-23-19)24-20(25)17-4-2-3-5-18(17)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113011760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).