6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide

C14H11Cl3N2O — CID 62233257

IUPAC6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C14H11Cl3N2O/c15-10-5-4-9(11(16)8-10)6-7-18-14(20)12-2-1-3-13(17)19-12/h1-5,8H,6-7H2,(H,18,20)
InChIKeyVLYLNOATROGMSC-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.01
Rot. Bonds4

About 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide

6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 62233257) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID62233257
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C14H11Cl3N2O/c15-10-5-4-9(11(16)8-10)6-7-18-14(20)12-2-1-3-13(17)19-12/h1-5,8H,6-7H2,(H,18,20)
InChIKeyVLYLNOATROGMSC-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109332615
N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 5205911
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295997
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide (CID 62233257) is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is VLYLNOATROGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c15-10-5-4-9(11(16)8-10)6-7-18-14(20)12-2-1-3-13(17)19-12/h1-5,8H,6-7H2,(H,18,20).
What are the key properties of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 329.61 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).