4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

C24H21ClN2O2 — CID 35128972

IUPAC4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21ClN2O2/c1-29-19-12-8-16(9-13-19)21(22-15-26-23-5-3-2-4-20(22)23)14-27-24(28)17-6-10-18(25)11-7-17/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyFOCQPFYRLUPTII-NRFANRHFSA-N
MW404.90 g/mol
LogP5.39
Rot. Bonds6

About 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 35128972) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID35128972
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21ClN2O2/c1-29-19-12-8-16(9-13-19)21(22-15-26-23-5-3-2-4-20(22)23)14-27-24(28)17-6-10-18(25)11-7-17/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyFOCQPFYRLUPTII-NRFANRHFSA-N
XLogP5.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-phenylethyl]benzamide
CID 8019643
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55365621
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (CID 35128972) is 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FOCQPFYRLUPTII-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-29-19-12-8-16(9-13-19)21(22-15-26-23-5-3-2-4-20(22)23)14-27-24(28)17-6-10-18(25)11-7-17/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 35128972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).