N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide

C24H21ClN2O2 — CID 35126814

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H21ClN2O2/c1-29-17-8-6-7-16(13-17)24(28)27-15-20(18-9-2-4-11-22(18)25)21-14-26-23-12-5-3-10-19(21)23/h2-14,20,26H,15H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyHJLFWRBJJHBKPX-HXUWFJFHSA-N
MW404.90 g/mol
LogP5.39
Rot. Bonds6

About N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide

N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 35126814) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
PubChem CID35126814
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H21ClN2O2/c1-29-17-8-6-7-16(13-17)24(28)27-15-20(18-9-2-4-11-22(18)25)21-14-26-23-12-5-3-10-19(21)23/h2-14,20,26H,15H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyHJLFWRBJJHBKPX-HXUWFJFHSA-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-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 55351916
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17462097
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 37311265

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (CID 35126814) is N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is HJLFWRBJJHBKPX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-29-17-8-6-7-16(13-17)24(28)27-15-20(18-9-2-4-11-22(18)25)21-14-26-23-12-5-3-10-19(21)23/h2-14,20,26H,15H2,1H3,(H,27,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide 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 N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 35126814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).