N-(1-acetyl-2-chloroindol-3-yl)acetamide

C12H11ClN2O2 — CID 788168

IUPACN-(1-acetyl-2-chloroindol-3-yl)acetamide
SMILESCC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12
InChIInChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16)
InChIKeyAPVRWJPHJGBMDM-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.91
Rot. Bonds1

About N-(1-acetyl-2-chloroindol-3-yl)acetamide

N-(1-acetyl-2-chloroindol-3-yl)acetamide (PubChem CID 788168) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(1-acetyl-2-chloroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2-chloroindol-3-yl)acetamide
PubChem CID788168
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(1-acetyl-2-chloroindol-3-yl)acetamide
SMILESCC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12
InChIInChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16)
InChIKeyAPVRWJPHJGBMDM-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-1H-indol-3-yl)-N-(4-chlorophenyl)acetamide
CID 2289673
N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide
CID 788167
N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
CID 808156
Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-
CID 3069504
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-(2-phenyl-1H-indol-3-yl)acetamide
CID 357493
N-[2-(acetylamino)ethyl]-3-(2-methyl-1H-indol-1-yl)propanamide
CID 46988095
2-methyl-1H-indol-3-amine hydrochloride
CID 122163532
tert-butyl 3-{[(tert-butoxy)carbonyl]amino}-2-chloro-1H-indole-1-carboxylate
CID 155978298
N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide
CID 6498758
N-(1-methyl-1H-indol-3-yl)acetamide
CID 11286923
1-(2-Butyl-5-chloro-1H-indol-1-yl)ethan-1-one
CID 14493112

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-chloroindol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-2-chloroindol-3-yl)acetamide (CID 788168) is N-(1-acetyl-2-chloroindol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-2-chloroindol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-2-chloroindol-3-yl)acetamide is CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12.
What is the InChIKey of N-(1-acetyl-2-chloroindol-3-yl)acetamide?
The InChIKey is APVRWJPHJGBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(1-acetyl-2-chloroindol-3-yl)acetamide?
N-(1-acetyl-2-chloroindol-3-yl)acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-chloroindol-3-yl)acetamide is sourced from PubChem (CID 788168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).