N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide

C17H16Cl2N2O2 — CID 110416767

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-14-4-3-12(15(19)10-14)7-9-21-17(23)6-5-16(22)13-2-1-8-20-11-13/h1-4,8,10-11H,5-7,9H2,(H,21,23)
InChIKeyXAAABYCAAHPEJE-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110416767) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110416767
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-14-4-3-12(15(19)10-14)7-9-21-17(23)6-5-16(22)13-2-1-8-20-11-13/h1-4,8,10-11H,5-7,9H2,(H,21,23)
InChIKeyXAAABYCAAHPEJE-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
4-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 110344658
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110630066
N-cyclopropyl-N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 4645567
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110416767) is N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide is O=C(CCC(=O)c1cccnc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is XAAABYCAAHPEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-4-3-12(15(19)10-14)7-9-21-17(23)6-5-16(22)13-2-1-8-20-11-13/h1-4,8,10-11H,5-7,9H2,(H,21,23).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 351.23 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110416767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).