2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide

C20H18N2O — CID 140555965

IUPAC2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@@H](c1ccccc1)c1cc(-c2ccncc2)ccc1C(N)=O
InChIInChI=1S/C20H18N2O/c1-14(15-5-3-2-4-6-15)19-13-17(7-8-18(19)20(21)23)16-9-11-22-12-10-16/h2-14H,1H3,(H2,21,23)/t14-/m0/s1
InChIKeyOVZAPUMLHQXPGA-AWEZNQCLSA-N
MW302.38 g/mol
LogP4.00
Rot. Bonds4

About 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide

2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide (PubChem CID 140555965) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide
PubChem CID140555965
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@@H](c1ccccc1)c1cc(-c2ccncc2)ccc1C(N)=O
InChIInChI=1S/C20H18N2O/c1-14(15-5-3-2-4-6-15)19-13-17(7-8-18(19)20(21)23)16-9-11-22-12-10-16/h2-14H,1H3,(H2,21,23)/t14-/m0/s1
InChIKeyOVZAPUMLHQXPGA-AWEZNQCLSA-N
XLogP4.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide (CID 140555965) is 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide is C[C@@H](c1ccccc1)c1cc(-c2ccncc2)ccc1C(N)=O.
What is the InChIKey of 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is OVZAPUMLHQXPGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14(15-5-3-2-4-6-15)19-13-17(7-8-18(19)20(21)23)16-9-11-22-12-10-16/h2-14H,1H3,(H2,21,23)/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide?
2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 302.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 140555965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).