2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide

C22H21ClN2O3 — CID 110296713

IUPAC2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-10-11-21(28-2)20(14-18)25-22(26)19(13-17-5-3-4-12-24-17)15-6-8-16(23)9-7-15/h3-12,14,19H,13H2,1-2H3,(H,25,26)
InChIKeyGGHFWAMUCGPHDO-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.72
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide

2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide (PubChem CID 110296713) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide
PubChem CID110296713
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-10-11-21(28-2)20(14-18)25-22(26)19(13-17-5-3-4-12-24-17)15-6-8-16(23)9-7-15/h3-12,14,19H,13H2,1-2H3,(H,25,26)
InChIKeyGGHFWAMUCGPHDO-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 110296795
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 110296691
methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
CID 110296720
N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136957
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
2-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296673
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296223

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide (CID 110296713) is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide is COc1ccc(OC)c(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide?
The InChIKey is GGHFWAMUCGPHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-18-10-11-21(28-2)20(14-18)25-22(26)19(13-17-5-3-4-12-24-17)15-6-8-16(23)9-7-15/h3-12,14,19H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide?
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide has a molecular weight of 396.87 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110296713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).