2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

C14H10Cl4N2O — CID 114917183

IUPAC2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl4N2O/c15-9-2-1-8(11(16)5-9)3-4-19-14(21)10-6-13(18)20-7-12(10)17/h1-2,5-7H,3-4H2,(H,19,21)
InChIKeyREPZOLLJHWVFDQ-UHFFFAOYSA-N
MW364.06 g/mol
LogP4.67
Rot. Bonds4

About 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114917183) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114917183
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl4N2O/c15-9-2-1-8(11(16)5-9)3-4-19-14(21)10-6-13(18)20-7-12(10)17/h1-2,5-7H,3-4H2,(H,19,21)
InChIKeyREPZOLLJHWVFDQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 54.67
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

5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (CID 114917183) is 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is REPZOLLJHWVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c15-9-2-1-8(11(16)5-9)3-4-19-14(21)10-6-13(18)20-7-12(10)17/h1-2,5-7H,3-4H2,(H,19,21).
What are the key properties of 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 364.06 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).