3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide

C19H18N2O — CID 71150670

IUPAC3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide
SMILESNC(=O)c1cccc(Cc2ccccc2)c1C1=CCNC=C1
InChIInChI=1S/C19H18N2O/c20-19(22)17-8-4-7-16(13-14-5-2-1-3-6-14)18(17)15-9-11-21-12-10-15/h1-11,21H,12-13H2,(H2,20,22)
InChIKeyJXYDDURGSHGEJB-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.88
Rot. Bonds4

About 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide

3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide (PubChem CID 71150670) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide.

Molecular Properties

Compound Name3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide
PubChem CID71150670
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide
SMILESNC(=O)c1cccc(Cc2ccccc2)c1C1=CCNC=C1
InChIInChI=1S/C19H18N2O/c20-19(22)17-8-4-7-16(13-14-5-2-1-3-6-14)18(17)15-9-11-21-12-10-15/h1-11,21H,12-13H2,(H2,20,22)
InChIKeyJXYDDURGSHGEJB-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide?
The IUPAC name of 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide (CID 71150670) is 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide.
What is the SMILES notation for 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide?
The canonical SMILES for 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide is NC(=O)c1cccc(Cc2ccccc2)c1C1=CCNC=C1.
What is the InChIKey of 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide?
The InChIKey is JXYDDURGSHGEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-19(22)17-8-4-7-16(13-14-5-2-1-3-6-14)18(17)15-9-11-21-12-10-15/h1-11,21H,12-13H2,(H2,20,22).
What are the key properties of 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide?
3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide has a molecular weight of 290.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide is sourced from PubChem (CID 71150670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).