N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide

C19H19F3N2O2 — CID 113057810

IUPACN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)c1cc(C)ccc1C
InChIInChI=1S/C19H19F3N2O2/c1-11-4-5-12(2)16(10-11)24(13(3)25)9-8-23-19(26)14-6-7-15(20)18(22)17(14)21/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKeyARHSASHTRPBFJS-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide

N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide (PubChem CID 113057810) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
PubChem CID113057810
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)c1cc(C)ccc1C
InChIInChI=1S/C19H19F3N2O2/c1-11-4-5-12(2)16(10-11)24(13(3)25)9-8-23-19(26)14-6-7-15(20)18(22)17(14)21/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKeyARHSASHTRPBFJS-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.50
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

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113054680
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide (CID 113057810) is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is ARHSASHTRPBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11-4-5-12(2)16(10-11)24(13(3)25)9-8-23-19(26)14-6-7-15(20)18(22)17(14)21/h4-7,10H,8-9H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide?
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 364.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).