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

C20H16F3N3O2 — CID 113023061

IUPAC2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-14-5-2-12(3-6-14)10-18(27)25-13-4-9-17(24-11-13)26-16-8-7-15(21)19(22)20(16)23/h2-9,11H,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyKVQKXMFCLLWVBC-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.43
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (PubChem CID 113023061) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
PubChem CID113023061
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-14-5-2-12(3-6-14)10-18(27)25-13-4-9-17(24-11-13)26-16-8-7-15(21)19(22)20(16)23/h2-9,11H,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyKVQKXMFCLLWVBC-UHFFFAOYSA-N
XLogP4.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide (CID 113023061) is 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
The InChIKey is KVQKXMFCLLWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-14-5-2-12(3-6-14)10-18(27)25-13-4-9-17(24-11-13)26-16-8-7-15(21)19(22)20(16)23/h2-9,11H,10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide?
2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113023061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).