N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide

C24H22N2O — CID 35180736

IUPACN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H22N2O/c1-17-9-5-6-12-19(17)24(27)26-15-21(18-10-3-2-4-11-18)22-16-25-23-14-8-7-13-20(22)23/h2-14,16,21,25H,15H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyVPPFVYSTHRZLBK-OAQYLSRUSA-N
MW354.45 g/mol
LogP5.04
Rot. Bonds5

About N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide (PubChem CID 35180736) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
PubChem CID35180736
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H22N2O/c1-17-9-5-6-12-19(17)24(27)26-15-21(18-10-3-2-4-11-18)22-16-25-23-14-8-7-13-20(22)23/h2-14,16,21,25H,15H2,1H3,(H,26,27)/t21-/m1/s1
InChIKeyVPPFVYSTHRZLBK-OAQYLSRUSA-N
XLogP5.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2R)-1-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51866308
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide (CID 35180736) is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide?
The InChIKey is VPPFVYSTHRZLBK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-9-5-6-12-19(17)24(27)26-15-21(18-10-3-2-4-11-18)22-16-25-23-14-8-7-13-20(22)23/h2-14,16,21,25H,15H2,1H3,(H,26,27)/t21-/m1/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide?
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide is sourced from PubChem (CID 35180736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).