2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

C17H13F3N2O2 — CID 110730048

IUPAC2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O2/c18-12-6-5-11(15(19)16(12)20)17(24)21-7-8-22-13-4-2-1-3-10(13)9-14(22)23/h1-6H,7-9H2,(H,21,24)
InChIKeyGUEIFZNXMGEQHX-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.42
Rot. Bonds4

About 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (PubChem CID 110730048) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
PubChem CID110730048
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O2/c18-12-6-5-11(15(19)16(12)20)17(24)21-7-8-22-13-4-2-1-3-10(13)9-14(22)23/h1-6H,7-9H2,(H,21,24)
InChIKeyGUEIFZNXMGEQHX-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.42
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

3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730047
4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730041
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 91632332
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (CID 110730048) is 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The InChIKey is GUEIFZNXMGEQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-12-6-5-11(15(19)16(12)20)17(24)21-7-8-22-13-4-2-1-3-10(13)9-14(22)23/h1-6H,7-9H2,(H,21,24).
What are the key properties of 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide has a molecular weight of 334.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).