N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide

C22H22N2O — CID 154851586

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide
SMILESCc1cc(C)cc(C(C)NC(=O)c2ccccc2-c2ccncc2)c1
InChIInChI=1S/C22H22N2O/c1-15-12-16(2)14-19(13-15)17(3)24-22(25)21-7-5-4-6-20(21)18-8-10-23-11-9-18/h4-14,17H,1-3H3,(H,24,25)
InChIKeyFSQJZJYWCBLFRL-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide

N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide (PubChem CID 154851586) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide
PubChem CID154851586
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide
SMILESCc1cc(C)cc(C(C)NC(=O)c2ccccc2-c2ccncc2)c1
InChIInChI=1S/C22H22N2O/c1-15-12-16(2)14-19(13-15)17(3)24-22(25)21-7-5-4-6-20(21)18-8-10-23-11-9-18/h4-14,17H,1-3H3,(H,24,25)
InChIKeyFSQJZJYWCBLFRL-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide (CID 154851586) is N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide is Cc1cc(C)cc(C(C)NC(=O)c2ccccc2-c2ccncc2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide?
The InChIKey is FSQJZJYWCBLFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15-12-16(2)14-19(13-15)17(3)24-22(25)21-7-5-4-6-20(21)18-8-10-23-11-9-18/h4-14,17H,1-3H3,(H,24,25).
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide?
N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide is sourced from PubChem (CID 154851586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).