2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

C17H15F3N2O2 — CID 108539998

IUPAC2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)22-9-8-21-14(23)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyGVHWWHMUMPQVPL-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.19
Rot. Bonds6

About 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (PubChem CID 108539998) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
PubChem CID108539998
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)22-9-8-21-14(23)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyGVHWWHMUMPQVPL-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloropropanoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574420
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574409
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 113056455
2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108542900
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (CID 108539998) is 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is O=C(Cc1ccccc1)NCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The InChIKey is GVHWWHMUMPQVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-13-7-6-12(15(19)16(13)20)17(24)22-9-8-21-14(23)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24).
What are the key properties of 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108539998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).