N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

C24H21BrN2O2 — CID 35124184

IUPACN-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21BrN2O2/c1-29-19-12-8-17(9-13-19)24(28)27-14-21(16-6-10-18(25)11-7-16)22-15-26-23-5-3-2-4-20(22)23/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyMUFCNKKBDKROBV-OAQYLSRUSA-N
MW449.35 g/mol
LogP5.50
Rot. Bonds6

About N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (PubChem CID 35124184) has the molecular formula C24H21BrN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
PubChem CID35124184
Molecular FormulaC24H21BrN2O2
Molecular Weight449.35 g/mol
Exact Mass448.08
IUPAC NameN-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21BrN2O2/c1-29-19-12-8-17(9-13-19)24(28)27-14-21(16-6-10-18(25)11-7-16)22-15-26-23-5-3-2-4-20(22)23/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyMUFCNKKBDKROBV-OAQYLSRUSA-N
XLogP5.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
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
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
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
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 46533462
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (CID 35124184) is N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The InChIKey is MUFCNKKBDKROBV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21BrN2O2/c1-29-19-12-8-17(9-13-19)24(28)27-14-21(16-6-10-18(25)11-7-16)22-15-26-23-5-3-2-4-20(22)23/h2-13,15,21,26H,14H2,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide has a molecular weight of 449.35 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 35124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).