N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide

C24H25Cl2N3O2 — CID 127028743

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O2/c25-20-11-10-19(16-21(20)26)12-14-28-23(30)17-29-15-5-9-22(24(29)31)27-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-11,15-16,27H,4,8,12-14,17H2,(H,28,30)
InChIKeyMGNHSJBIYTXENG-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.56
Rot. Bonds10

About N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide

N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide (PubChem CID 127028743) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
PubChem CID127028743
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O2/c25-20-11-10-19(16-21(20)26)12-14-28-23(30)17-29-15-5-9-22(24(29)31)27-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-11,15-16,27H,4,8,12-14,17H2,(H,28,30)
InChIKeyMGNHSJBIYTXENG-UHFFFAOYSA-N
XLogP4.56
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
CID 109030837
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029044
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16957045
(E)-3-[1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrol-2-yl]prop-2-enoic acid
CID 82030801
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide (CID 127028743) is N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide is O=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The InChIKey is MGNHSJBIYTXENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c25-20-11-10-19(16-21(20)26)12-14-28-23(30)17-29-15-5-9-22(24(29)31)27-13-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-11,15-16,27H,4,8,12-14,17H2,(H,28,30).
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide has a molecular weight of 458.39 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide is sourced from PubChem (CID 127028743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).