2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

C23H18F2N2O — CID 46553423

IUPAC2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C23H18F2N2O/c24-19-10-6-11-20(25)22(19)23(28)27-13-17(15-7-2-1-3-8-15)18-14-26-21-12-5-4-9-16(18)21/h1-12,14,17,26H,13H2,(H,27,28)
InChIKeyAVXCRWAQKFAGFJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.01
Rot. Bonds5

About 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 46553423) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID46553423
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C23H18F2N2O/c24-19-10-6-11-20(25)22(19)23(28)27-13-17(15-7-2-1-3-8-15)18-14-26-21-12-5-4-9-16(18)21/h1-12,14,17,26H,13H2,(H,27,28)
InChIKeyAVXCRWAQKFAGFJ-UHFFFAOYSA-N
XLogP5.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 46553423) is 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is AVXCRWAQKFAGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O/c24-19-10-6-11-20(25)22(19)23(28)27-13-17(15-7-2-1-3-8-15)18-14-26-21-12-5-4-9-16(18)21/h1-12,14,17,26H,13H2,(H,27,28).
What are the key properties of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 46553423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).