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

C18H17BrN2O2 — CID 3624319

IUPACN-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=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)
InChIKeyMVCRMABOCOJSNC-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.22
Rot. Bonds4

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

N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (PubChem CID 3624319) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
PubChem CID3624319
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=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)
InChIKeyMVCRMABOCOJSNC-UHFFFAOYSA-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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Related Compounds

3-benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 6472450
N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 1418363
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
5-bromo-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 2265401
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 2857771
Butabindide
CID 9817923
8-Bromo-5-phenylcarbamoylmethyl-5,6-dihydro-1H-pyrrolo[1,2,3-de]quinoxaline-2,3-dione
CID 9978303
8-Bromo-5-(phenylcarbamoyl)-5,6-dihydro-1H-pyrrolo[1,2,3-de]quinoxaline-2,3-dione
CID 10407775
(2S)-aminobutyryl-(2S)-indoline carboxylic acid propylamide
CID 11580133

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The IUPAC name of N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (CID 3624319) is N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is CC(=O)NC1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The InChIKey is MVCRMABOCOJSNC-UHFFFAOYSA-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).
What are the key properties of N-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
N-[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-[5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is sourced from PubChem (CID 3624319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).