2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide

C19H13F4N3O — CID 113023074

IUPAC2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-17(27)25-12-5-8-16(24-10-12)26-15-7-6-14(21)18(22)19(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyQVVONZHCWHZQQU-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.56
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide

2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (PubChem CID 113023074) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
PubChem CID113023074
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-17(27)25-12-5-8-16(24-10-12)26-15-7-6-14(21)18(22)19(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyQVVONZHCWHZQQU-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689
2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023061
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (CID 113023074) is 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is O=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The InChIKey is QVVONZHCWHZQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-17(27)25-12-5-8-16(24-10-12)26-15-7-6-14(21)18(22)19(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27).
What are the key properties of 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide has a molecular weight of 375.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113023074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).