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

C19H13ClF3N3O — CID 113023060

IUPAC2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13ClF3N3O/c20-12-3-1-11(2-4-12)9-17(27)25-13-5-8-16(24-10-13)26-15-7-6-14(21)18(22)19(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyYAEYBWIJVFNNCD-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.08
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (PubChem CID 113023060) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
PubChem CID113023060
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13ClF3N3O/c20-12-3-1-11(2-4-12)9-17(27)25-13-5-8-16(24-10-13)26-15-7-6-14(21)18(22)19(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyYAEYBWIJVFNNCD-UHFFFAOYSA-N
XLogP5.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.08
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-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023061
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
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-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113022288
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (CID 113023060) is 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The InChIKey is YAEYBWIJVFNNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-12-3-1-11(2-4-12)9-17(27)25-13-5-8-16(24-10-13)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-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide has a molecular weight of 391.78 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113023060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).