2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide

C14H18F3NO — CID 110481347

IUPAC2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3NO/c1-3-9(4-2)14(19)18-8-7-10-5-6-11(15)13(17)12(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyIQHFRNLAJPCUOG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.20
Rot. Bonds6

About 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide

2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide (PubChem CID 110481347) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
PubChem CID110481347
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3NO/c1-3-9(4-2)14(19)18-8-7-10-5-6-11(15)13(17)12(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyIQHFRNLAJPCUOG-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
CID 110477577
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 110481973
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053
N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
CID 62965672
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]butanoic acid
CID 79749423
1-(3-chloropentyl)-2,3,4-trifluorobenzene
CID 64509327
2-[[2-(2-fluorophenyl)ethylamino]methyl]butanoic acid
CID 115250078
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
CID 113055638
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide (CID 110481347) is 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide is CCC(CC)C(=O)NCCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide?
The InChIKey is IQHFRNLAJPCUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-9(4-2)14(19)18-8-7-10-5-6-11(15)13(17)12(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide?
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide has a molecular weight of 273.30 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide is sourced from PubChem (CID 110481347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).