3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide

C16H15F3N2O3 — CID 113135212

IUPAC3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3/c1-10(22)21(13-5-4-12(17)15(18)16(13)19)7-6-14(23)20-9-11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,20,23)
InChIKeySUXDQXQZYPRJMJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.76
Rot. Bonds6

About 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide

3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 113135212) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID113135212
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3/c1-10(22)21(13-5-4-12(17)15(18)16(13)19)7-6-14(23)20-9-11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,20,23)
InChIKeySUXDQXQZYPRJMJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113120923
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
CID 113135257
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide (CID 113135212) is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SUXDQXQZYPRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10(22)21(13-5-4-12(17)15(18)16(13)19)7-6-14(23)20-9-11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide?
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 340.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113135212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).