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

C23H19BrN2O — CID 26243574

IUPAC2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Br
InChIInChI=1S/C23H19BrN2O/c24-21-12-6-4-11-18(21)23(27)26-14-19(16-8-2-1-3-9-16)20-15-25-22-13-7-5-10-17(20)22/h1-13,15,19,25H,14H2,(H,26,27)/t19-/m1/s1
InChIKeyIRZKSBNMSRBJSQ-LJQANCHMSA-N
MW419.32 g/mol
LogP5.49
Rot. Bonds5

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

2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 26243574) has the molecular formula C23H19BrN2O and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID26243574
Molecular FormulaC23H19BrN2O
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC Name2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Br
InChIInChI=1S/C23H19BrN2O/c24-21-12-6-4-11-18(21)23(27)26-14-19(16-8-2-1-3-9-16)20-15-25-22-13-7-5-10-17(20)22/h1-13,15,19,25H,14H2,(H,26,27)/t19-/m1/s1
InChIKeyIRZKSBNMSRBJSQ-LJQANCHMSA-N
XLogP5.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
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
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 26243574) is 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is IRZKSBNMSRBJSQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H19BrN2O/c24-21-12-6-4-11-18(21)23(27)26-14-19(16-8-2-1-3-9-16)20-15-25-22-13-7-5-10-17(20)22/h1-13,15,19,25H,14H2,(H,26,27)/t19-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 26243574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).