3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide

C20H16F3N3O — CID 113037437

IUPAC3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C20H16F3N3O/c21-15-8-9-16(20(23)19(15)22)25-14-7-10-17(24-12-14)26-18(27)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,25H,6,11H2,(H,24,26,27)
InChIKeyPVNPPWBKWWFVKB-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.81
Rot. Bonds6

About 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide

3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide (PubChem CID 113037437) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
PubChem CID113037437
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C20H16F3N3O/c21-15-8-9-16(20(23)19(15)22)25-14-7-10-17(24-12-14)26-18(27)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,25H,6,11H2,(H,24,26,27)
InChIKeyPVNPPWBKWWFVKB-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.81
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

3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide?
The IUPAC name of 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide (CID 113037437) is 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide?
The canonical SMILES for 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide?
The InChIKey is PVNPPWBKWWFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-15-8-9-16(20(23)19(15)22)25-14-7-10-17(24-12-14)26-18(27)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,25H,6,11H2,(H,24,26,27).
What are the key properties of 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide?
3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide has a molecular weight of 371.36 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113037437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).