2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide

C23H23ClN2O2 — CID 110296857

IUPAC2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-28-21-8-2-17(3-9-21)12-15-26-23(27)22(16-18-10-13-25-14-11-18)19-4-6-20(24)7-5-19/h2-11,13-14,22H,12,15-16H2,1H3,(H,26,27)
InChIKeyQWCBFDNHNXLLNL-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.43
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide

2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 110296857) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID110296857
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-28-21-8-2-17(3-9-21)12-15-26-23(27)22(16-18-10-13-25-14-11-18)19-4-6-20(24)7-5-19/h2-11,13-14,22H,12,15-16H2,1H3,(H,26,27)
InChIKeyQWCBFDNHNXLLNL-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416665
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide (CID 110296857) is 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide is COc1ccc(CCNC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is QWCBFDNHNXLLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-28-21-8-2-17(3-9-21)12-15-26-23(27)22(16-18-10-13-25-14-11-18)19-4-6-20(24)7-5-19/h2-11,13-14,22H,12,15-16H2,1H3,(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide?
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 394.90 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110296857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).