2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide

C19H12Cl2F2N2O — CID 46089627

IUPAC2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3F)n2)c1)C(Cl)Cl
InChIInChI=1S/C19H12Cl2F2N2O/c20-18(21)19(26)24-13-4-1-3-11(9-13)16-5-2-6-17(25-16)14-8-7-12(22)10-15(14)23/h1-10,18H,(H,24,26)
InChIKeyNRJVVJQYIYBGJQ-UHFFFAOYSA-N
MW393.22 g/mol
LogP5.44
Rot. Bonds4

About 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide

2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide (PubChem CID 46089627) has the molecular formula C19H12Cl2F2N2O and a molecular weight of 393.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide
PubChem CID46089627
Molecular FormulaC19H12Cl2F2N2O
Molecular Weight393.22 g/mol
Exact Mass392.03
IUPAC Name2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3F)n2)c1)C(Cl)Cl
InChIInChI=1S/C19H12Cl2F2N2O/c20-18(21)19(26)24-13-4-1-3-11(9-13)16-5-2-6-17(25-16)14-8-7-12(22)10-15(14)23/h1-10,18H,(H,24,26)
InChIKeyNRJVVJQYIYBGJQ-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.22
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
CID 71463068
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
CID 3007230
N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
CID 46090676
6-(2,4-difluorophenyl)-N,N-dimethylpyridine-2-carboxamide
CID 77083219
2-(2,4-difluorophenyl)-6-[difluoro-(6-phenyl-2-pyridinyl)methyl]pyridine
CID 59646059
2-[6-(2,4-difluorophenyl)-2-pyridinyl]-5-[3-[5-[6-(2,4-difluorophenyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59236809
propan-2-yl 6-(4-chlorophenyl)pyridine-2-carboxylate;propan-2-yl 6-(3,4-dichlorophenyl)pyridine-2-carboxylate;propan-2-yl 6-(2,4-difluorophenyl)pyridine-2-carboxylate
CID 167661226
2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007241
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide (CID 46089627) is 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide is O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3F)n2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is NRJVVJQYIYBGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N2O/c20-18(21)19(26)24-13-4-1-3-11(9-13)16-5-2-6-17(25-16)14-8-7-12(22)10-15(14)23/h1-10,18H,(H,24,26).
What are the key properties of 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide?
2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 393.22 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 46089627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).