3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

C19H21Cl2N3O2 — CID 113123311

IUPAC3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-14(25)24(10-6-16-2-3-17(20)12-18(16)21)11-7-19(26)23-13-15-4-8-22-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyCKEIORRHPHIFTJ-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.49
Rot. Bonds8

About 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113123311) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113123311
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-14(25)24(10-6-16-2-3-17(20)12-18(16)21)11-7-19(26)23-13-15-4-8-22-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,26)
InChIKeyCKEIORRHPHIFTJ-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113117098
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 113123311) is 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccncc1)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is CKEIORRHPHIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-14(25)24(10-6-16-2-3-17(20)12-18(16)21)11-7-19(26)23-13-15-4-8-22-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 394.30 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113123311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).