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

C12H10ClN3O2 — CID 9178925

IUPACN-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CC#N)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClN3O2/c1-7(17)15-11-9-6-8(13)2-3-10(9)16(5-4-14)12(11)18/h2-3,6,11H,5H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyKYXIIVXPCYSXIW-LLVKDONJSA-N
MW263.68 g/mol
LogP1.39
Rot. Bonds2

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

N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178925) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178925
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CC#N)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClN3O2/c1-7(17)15-11-9-6-8(13)2-3-10(9)16(5-4-14)12(11)18/h2-3,6,11H,5H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyKYXIIVXPCYSXIW-LLVKDONJSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178325
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-4,7-dichloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9179146
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
2-[5-methyl-3-(methylamino)-2-oxo-3H-indol-1-yl]acetonitrile
CID 82235293
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide (CID 9178925) is N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CC#N)c2ccc(Cl)cc21.
What is the InChIKey of N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is KYXIIVXPCYSXIW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7(17)15-11-9-6-8(13)2-3-10(9)16(5-4-14)12(11)18/h2-3,6,11H,5H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).