3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide

C19H18F3N3O3 — CID 113131062

IUPAC3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c1
InChIInChI=1S/C19H18F3N3O3/c1-11(26)23-13-4-3-5-14(10-13)25(12(2)27)9-8-17(28)24-16-7-6-15(20)18(21)19(16)22/h3-7,10H,8-9H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyFGPQTRIZUICARG-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.44
Rot. Bonds6

About 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide

3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 113131062) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID113131062
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c1
InChIInChI=1S/C19H18F3N3O3/c1-11(26)23-13-4-3-5-14(10-13)25(12(2)27)9-8-17(28)24-16-7-6-15(20)18(21)19(16)22/h3-7,10H,8-9H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyFGPQTRIZUICARG-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.44
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-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 113131062) is 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide is CC(=O)Nc1cccc(N(CCC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is FGPQTRIZUICARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11(26)23-13-4-3-5-14(10-13)25(12(2)27)9-8-17(28)24-16-7-6-15(20)18(21)19(16)22/h3-7,10H,8-9H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 393.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 113131062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).