2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide

C22H21ClN2O — CID 110296757

IUPAC2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O/c1-16-4-6-17(7-5-16)15-25-22(26)21(13-18-3-2-12-24-14-18)19-8-10-20(23)11-9-19/h2-12,14,21H,13,15H2,1H3,(H,25,26)
InChIKeyMOQZDCJCOYFIMV-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 110296757) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID110296757
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O/c1-16-4-6-17(7-5-16)15-25-22(26)21(13-18-3-2-12-24-14-18)19-8-10-20(23)11-9-19/h2-12,14,21H,13,15H2,1H3,(H,25,26)
InChIKeyMOQZDCJCOYFIMV-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296675
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
CID 110301790
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 30259728
2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
CID 110296687
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 110296795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide (CID 110296757) is 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide is Cc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is MOQZDCJCOYFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-16-4-6-17(7-5-16)15-25-22(26)21(13-18-3-2-12-24-14-18)19-8-10-20(23)11-9-19/h2-12,14,21H,13,15H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide?
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 364.88 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110296757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).