3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide

C20H18FN3O — CID 71913514

IUPAC3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C20H18FN3O/c21-19-10-2-1-6-16(19)13-23-17-9-5-7-15(12-17)20(25)24-14-18-8-3-4-11-22-18/h1-12,23H,13-14H2,(H,24,25)
InChIKeyKVWPXJHEQVGCFY-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.76
Rot. Bonds6

About 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide

3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 71913514) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID71913514
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C20H18FN3O/c21-19-10-2-1-6-16(19)13-23-17-9-5-7-15(12-17)20(25)24-14-18-8-3-4-11-22-18/h1-12,23H,13-14H2,(H,24,25)
InChIKeyKVWPXJHEQVGCFY-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 71913514) is 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(NCc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is KVWPXJHEQVGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-19-10-2-1-6-16(19)13-23-17-9-5-7-15(12-17)20(25)24-14-18-8-3-4-11-22-18/h1-12,23H,13-14H2,(H,24,25).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide?
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 71913514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).