N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide

C17H16F3N3O2 — CID 109041136

IUPACN-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H16F3N3O2/c1-10(24)22-11-3-2-4-12(9-11)23-15(25)7-8-21-14-6-5-13(18)16(19)17(14)20/h2-6,9,21H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGUKMZDWSDVCNT-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.50
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide

N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 109041136) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID109041136
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H16F3N3O2/c1-10(24)22-11-3-2-4-12(9-11)23-15(25)7-8-21-14-6-5-13(18)16(19)17(14)20/h2-6,9,21H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGUKMZDWSDVCNT-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide (CID 109041136) is N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide is CC(=O)Nc1cccc(NC(=O)CCNc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is HGUKMZDWSDVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10(24)22-11-3-2-4-12(9-11)23-15(25)7-8-21-14-6-5-13(18)16(19)17(14)20/h2-6,9,21H,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 351.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 109041136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).