N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

C18H17BrN2O2 — CID 7707518

IUPACN-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O2/c1-12(22)20-17-15-11-14(19)7-8-16(15)21(18(17)23)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyMVCRMABOCOJSNC-QGZVFWFLSA-N
MW373.25 g/mol
LogP3.22
Rot. Bonds4

About N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (PubChem CID 7707518) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
PubChem CID7707518
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O2/c1-12(22)20-17-15-11-14(19)7-8-16(15)21(18(17)23)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyMVCRMABOCOJSNC-QGZVFWFLSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (CID 7707518) is N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The InChIKey is MVCRMABOCOJSNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12(22)20-17-15-11-14(19)7-8-16(15)21(18(17)23)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7707518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).