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

C17H15BrN2O2 — CID 2711857

IUPACN-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyYOZQYFCUIPRFIO-INIZCTEOSA-N
MW359.22 g/mol
LogP3.17
Rot. Bonds3

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

N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 2711857) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
PubChem CID2711857
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyYOZQYFCUIPRFIO-INIZCTEOSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3R)-5-fluoro-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7677929
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide (CID 2711857) is N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is YOZQYFCUIPRFIO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 359.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 2711857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).