2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide

C15H13Cl2FN2O — CID 114918698

IUPAC2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1F
InChIInChI=1S/C15H13Cl2FN2O/c1-8-3-4-10(5-13(8)18)9(2)20-15(21)11-6-14(17)19-7-12(11)16/h3-7,9H,1-2H3,(H,20,21)
InChIKeyDGBCYMNWNUSOCN-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.33
Rot. Bonds3

About 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114918698) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID114918698
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1F
InChIInChI=1S/C15H13Cl2FN2O/c1-8-3-4-10(5-13(8)18)9(2)20-15(21)11-6-14(17)19-7-12(11)16/h3-7,9H,1-2H3,(H,20,21)
InChIKeyDGBCYMNWNUSOCN-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.33
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
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
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
2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 105386943
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378513
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide (CID 114918698) is 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is DGBCYMNWNUSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8-3-4-10(5-13(8)18)9(2)20-15(21)11-6-14(17)19-7-12(11)16/h3-7,9H,1-2H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 327.19 g/mol, XLogP of 4.33, 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-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).