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

C14H11Cl2FN2O — CID 114918156

IUPAC2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-8(9-2-4-10(17)5-3-9)19-14(20)11-6-13(16)18-7-12(11)15/h2-8H,1H3,(H,19,20)
InChIKeyANHBWGOUFGMPRR-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.02
Rot. Bonds3

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

2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114918156) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114918156
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-8(9-2-4-10(17)5-3-9)19-14(20)11-6-13(16)18-7-12(11)15/h2-8H,1H3,(H,19,20)
InChIKeyANHBWGOUFGMPRR-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.02
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-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 114918156) is 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is ANHBWGOUFGMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-8(9-2-4-10(17)5-3-9)19-14(20)11-6-13(16)18-7-12(11)15/h2-8H,1H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 4.02, 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-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).