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

C24H19N3O — CID 2489680

IUPAC4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESN#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19N3O/c25-14-17-10-12-19(13-11-17)24(28)27-15-21(18-6-2-1-3-7-18)22-16-26-23-9-5-4-8-20(22)23/h1-13,16,21,26H,15H2,(H,27,28)/t21-/m0/s1
InChIKeyJBBGWKUPMYYNFG-NRFANRHFSA-N
MW365.44 g/mol
LogP4.60
Rot. Bonds5

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

4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 2489680) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID2489680
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESN#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19N3O/c25-14-17-10-12-19(13-11-17)24(28)27-15-21(18-6-2-1-3-7-18)22-16-26-23-9-5-4-8-20(22)23/h1-13,16,21,26H,15H2,(H,27,28)/t21-/m0/s1
InChIKeyJBBGWKUPMYYNFG-NRFANRHFSA-N
XLogP4.60
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
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-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
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-[(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
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
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 2489680) is 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is JBBGWKUPMYYNFG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19N3O/c25-14-17-10-12-19(13-11-17)24(28)27-15-21(18-6-2-1-3-7-18)22-16-26-23-9-5-4-8-20(22)23/h1-13,16,21,26H,15H2,(H,27,28)/t21-/m0/s1.
What are the key properties of 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 2489680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).