3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide

C22H20FN3O2 — CID 47063746

IUPAC3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
SMILESO=C(CCc1cccnc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C22H20FN3O2/c23-19-7-2-6-18(13-19)22(28)26-20-8-1-4-17(12-20)15-25-21(27)10-9-16-5-3-11-24-14-16/h1-8,11-14H,9-10,15H2,(H,25,27)(H,26,28)
InChIKeyKYYKIMSGYVQBKJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.72
Rot. Bonds7

About 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide

3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide (PubChem CID 47063746) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
PubChem CID47063746
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
SMILESO=C(CCc1cccnc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C22H20FN3O2/c23-19-7-2-6-18(13-19)22(28)26-20-8-1-4-17(12-20)15-25-21(27)10-9-16-5-3-11-24-14-16/h1-8,11-14H,9-10,15H2,(H,25,27)(H,26,28)
InChIKeyKYYKIMSGYVQBKJ-UHFFFAOYSA-N
XLogP3.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 47063751
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide (CID 47063746) is 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide is O=C(CCc1cccnc1)NCc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide?
The InChIKey is KYYKIMSGYVQBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-7-2-6-18(13-19)22(28)26-20-8-1-4-17(12-20)15-25-21(27)10-9-16-5-3-11-24-14-16/h1-8,11-14H,9-10,15H2,(H,25,27)(H,26,28).
What are the key properties of 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide?
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 47063746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).