N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C19H16F3N3O2 — CID 118711596

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)18(27)25-16-8-4-2-6-14(16)17(26)23-10-9-12-11-24-15-7-3-1-5-13(12)15/h1-8,11,24H,9-10H2,(H,23,26)(H,25,27)
InChIKeyXZWVGRYIIFQOTN-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 118711596) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID118711596
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)18(27)25-16-8-4-2-6-14(16)17(26)23-10-9-12-11-24-15-7-3-1-5-13(12)15/h1-8,11,24H,9-10H2,(H,23,26)(H,25,27)
InChIKeyXZWVGRYIIFQOTN-UHFFFAOYSA-N
XLogP3.64
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
CID 167846587
2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 164621073
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 118711596) is N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is XZWVGRYIIFQOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)18(27)25-16-8-4-2-6-14(16)17(26)23-10-9-12-11-24-15-7-3-1-5-13(12)15/h1-8,11,24H,9-10H2,(H,23,26)(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 375.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 118711596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).