2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide

C19H17F3N2O2 — CID 113086126

IUPAC2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C19H17F3N2O2/c1-10-12(14-9-11(26-2)3-6-16(14)24-10)7-8-23-19(25)13-4-5-15(20)18(22)17(13)21/h3-6,9,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyWHPKDCGNEQXEBX-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.87
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 113086126) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID113086126
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C19H17F3N2O2/c1-10-12(14-9-11(26-2)3-6-16(14)24-10)7-8-23-19(25)13-4-5-15(20)18(22)17(13)21/h3-6,9,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyWHPKDCGNEQXEBX-UHFFFAOYSA-N
XLogP3.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 113086126) is 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(F)c(F)c3F)c2c1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is WHPKDCGNEQXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-10-12(14-9-11(26-2)3-6-16(14)24-10)7-8-23-19(25)13-4-5-15(20)18(22)17(13)21/h3-6,9,24H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.87, 5 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-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 113086126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).