3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide

C26H21N3O3 — CID 60617071

IUPAC3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(NC(=O)C(Oc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N3O3/c30-25(29-23-16-7-8-17-27-23)20-12-9-13-21(18-20)28-26(31)24(19-10-3-1-4-11-19)32-22-14-5-2-6-15-22/h1-18,24H,(H,28,31)(H,27,29,30)
InChIKeyKCYGAVCDLWUMNG-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.09
Rot. Bonds7

About 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide

3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide (PubChem CID 60617071) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
PubChem CID60617071
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(NC(=O)C(Oc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21N3O3/c30-25(29-23-16-7-8-17-27-23)20-12-9-13-21(18-20)28-26(31)24(19-10-3-1-4-11-19)32-22-14-5-2-6-15-22/h1-18,24H,(H,28,31)(H,27,29,30)
InChIKeyKCYGAVCDLWUMNG-UHFFFAOYSA-N
XLogP5.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 120799452
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 60617260
3-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]-N-pyridin-2-ylbenzamide
CID 95144985
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
CID 60617315
5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 18763446
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid
CID 22268447

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide (CID 60617071) is 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cccc(NC(=O)C(Oc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide?
The InChIKey is KCYGAVCDLWUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-25(29-23-16-7-8-17-27-23)20-12-9-13-21(18-20)28-26(31)24(19-10-3-1-4-11-19)32-22-14-5-2-6-15-22/h1-18,24H,(H,28,31)(H,27,29,30).
What are the key properties of 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide?
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide has a molecular weight of 423.47 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).