4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

C26H25N3O2 — CID 46692237

IUPAC4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-18(30)27-15-19-11-13-21(14-12-19)26(31)29-16-23(20-7-3-2-4-8-20)24-17-28-25-10-6-5-9-22(24)25/h2-14,17,23,28H,15-16H2,1H3,(H,27,30)(H,29,31)
InChIKeyCKWGYWCJIKKBKL-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.37
Rot. Bonds7

About 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide

4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 46692237) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID46692237
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-18(30)27-15-19-11-13-21(14-12-19)26(31)29-16-23(20-7-3-2-4-8-20)24-17-28-25-10-6-5-9-22(24)25/h2-14,17,23,28H,15-16H2,1H3,(H,27,30)(H,29,31)
InChIKeyCKWGYWCJIKKBKL-UHFFFAOYSA-N
XLogP4.37
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 46692237) is 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is CC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is CKWGYWCJIKKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18(30)27-15-19-11-13-21(14-12-19)26(31)29-16-23(20-7-3-2-4-8-20)24-17-28-25-10-6-5-9-22(24)25/h2-14,17,23,28H,15-16H2,1H3,(H,27,30)(H,29,31).
What are the key properties of 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 46692237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).