2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide

C14H10Cl2F2N2O — CID 114917734

IUPAC2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H10Cl2F2N2O/c1-7(9-3-2-8(17)4-12(9)18)20-14(21)10-5-13(16)19-6-11(10)15/h2-7H,1H3,(H,20,21)
InChIKeyBUJDMOMYMXOITL-UHFFFAOYSA-N
MW331.15 g/mol
LogP4.16
Rot. Bonds3

About 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114917734) has the molecular formula C14H10Cl2F2N2O and a molecular weight of 331.15 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114917734
Molecular FormulaC14H10Cl2F2N2O
Molecular Weight331.15 g/mol
Exact Mass330.01
IUPAC Name2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H10Cl2F2N2O/c1-7(9-3-2-8(17)4-12(9)18)20-14(21)10-5-13(16)19-6-11(10)15/h2-7H,1H3,(H,20,21)
InChIKeyBUJDMOMYMXOITL-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 54.16
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

2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide (CID 114917734) is 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1F.
What is the InChIKey of 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is BUJDMOMYMXOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O/c1-7(9-3-2-8(17)4-12(9)18)20-14(21)10-5-13(16)19-6-11(10)15/h2-7H,1H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 331.15 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).