2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide

C22H20N2O2 — CID 36524206

IUPAC2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C22H20N2O2/c1-15-9-10-18(12-16(15)2)21(25)19-7-3-4-8-20(19)22(26)24-14-17-6-5-11-23-13-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyFFIFVXGRTXRQDA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.86
Rot. Bonds5

About 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide

2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 36524206) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID36524206
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C22H20N2O2/c1-15-9-10-18(12-16(15)2)21(25)19-7-3-4-8-20(19)22(26)24-14-17-6-5-11-23-13-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyFFIFVXGRTXRQDA-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
3,4-dimethyl-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049525

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 36524206) is 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FFIFVXGRTXRQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-9-10-18(12-16(15)2)21(25)19-7-3-4-8-20(19)22(26)24-14-17-6-5-11-23-13-17/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide?
2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 36524206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).