N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide

C20H21F3N2O2 — CID 113056455

IUPACN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCCc1ccccc1)CCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C20H21F3N2O2/c1-14(26)25(12-5-8-15-6-3-2-4-7-15)13-11-24-20(27)16-9-10-17(21)19(23)18(16)22/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,24,27)
InChIKeyNPJKCQVHEZNZOA-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide

N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide (PubChem CID 113056455) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
PubChem CID113056455
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCCc1ccccc1)CCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C20H21F3N2O2/c1-14(26)25(12-5-8-15-6-3-2-4-7-15)13-11-24-20(27)16-9-10-17(21)19(23)18(16)22/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,24,27)
InChIKeyNPJKCQVHEZNZOA-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.32
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-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113057088
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113054680
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide (CID 113056455) is N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide is CC(=O)N(CCCc1ccccc1)CCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is NPJKCQVHEZNZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14(26)25(12-5-8-15-6-3-2-4-7-15)13-11-24-20(27)16-9-10-17(21)19(23)18(16)22/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,24,27).
What are the key properties of N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide?
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 378.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).