3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

C19H18ClF3N2O2 — CID 113135240

IUPAC3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C19H18ClF3N2O2/c1-12(26)25(16-7-6-15(21)18(22)19(16)23)11-9-17(27)24-10-8-13-2-4-14(20)5-3-13/h2-7H,8-11H2,1H3,(H,24,27)
InChIKeyFSAXVECKVHEZPJ-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.86
Rot. Bonds7

About 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 113135240) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID113135240
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C19H18ClF3N2O2/c1-12(26)25(16-7-6-15(21)18(22)19(16)23)11-9-17(27)24-10-8-13-2-4-14(20)5-3-13/h2-7H,8-11H2,1H3,(H,24,27)
InChIKeyFSAXVECKVHEZPJ-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
CID 113130830
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-3-phenoxypropanamide
CID 113064450
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
CID 113181217
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
CID 113135257

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 113135240) is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is FSAXVECKVHEZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-12(26)25(16-7-6-15(21)18(22)19(16)23)11-9-17(27)24-10-8-13-2-4-14(20)5-3-13/h2-7H,8-11H2,1H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 398.81 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 113135240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).