N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

C16H15Cl2N3O3 — CID 108541628

IUPACN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)9-12)24-10-15(22)20-7-8-21-16(23)11-3-5-19-6-4-11/h1-6,9H,7-8,10H2,(H,20,22)(H,21,23)
InChIKeyWAUSSUBOOKHIIY-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.31
Rot. Bonds7

About N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 108541628) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
PubChem CID108541628
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)9-12)24-10-15(22)20-7-8-21-16(23)11-3-5-19-6-4-11/h1-6,9H,7-8,10H2,(H,20,22)(H,21,23)
InChIKeyWAUSSUBOOKHIIY-UHFFFAOYSA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.31
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

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990848
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
CID 4749356
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (CID 108541628) is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide is O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is WAUSSUBOOKHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-12-1-2-14(13(18)9-12)24-10-15(22)20-7-8-21-16(23)11-3-5-19-6-4-11/h1-6,9H,7-8,10H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108541628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).