2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide

C16H15Cl2N3O2 — CID 51193025

IUPAC2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10(11-3-2-6-19-8-11)21-15(22)9-20-16(23)13-5-4-12(17)7-14(13)18/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyUYCQMOOVMVPJNV-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.00
Rot. Bonds5

About 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide (PubChem CID 51193025) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
PubChem CID51193025
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10(11-3-2-6-19-8-11)21-15(22)9-20-16(23)13-5-4-12(17)7-14(13)18/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyUYCQMOOVMVPJNV-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
2,4-dichloro-N-[2-[[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 25435322

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide (CID 51193025) is 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide is CC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide?
The InChIKey is UYCQMOOVMVPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-10(11-3-2-6-19-8-11)21-15(22)9-20-16(23)13-5-4-12(17)7-14(13)18/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide is sourced from PubChem (CID 51193025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).