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

C12H10Cl2N2O2 — CID 788167

IUPACN-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide
SMILESCC(=O)n1c(Cl)c(NC(=O)CCl)c2ccccc21
InChIInChI=1S/C12H10Cl2N2O2/c1-7(17)16-9-5-3-2-4-8(9)11(12(16)14)15-10(18)6-13/h2-5H,6H2,1H3,(H,15,18)
InChIKeyXHRPFARAFYNEMH-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.13
Rot. Bonds2

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

N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide (PubChem CID 788167) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide
PubChem CID788167
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC NameN-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide
SMILESCC(=O)n1c(Cl)c(NC(=O)CCl)c2ccccc21
InChIInChI=1S/C12H10Cl2N2O2/c1-7(17)16-9-5-3-2-4-8(9)11(12(16)14)15-10(18)6-13/h2-5H,6H2,1H3,(H,15,18)
InChIKeyXHRPFARAFYNEMH-UHFFFAOYSA-N
XLogP3.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
CID 818737
N-(1-acetyl-1H-indol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide
CID 2017227
N-(1-acetyl-2-chloroindol-3-yl)acetamide
CID 788168
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-[3-[3-amino-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]-2-chloroacetamide
CID 89024453
3-chloro-N-(6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-yl)propanamide
CID 90333487
2-chloro-N-(6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-yl)propanamide
CID 90333590
2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide
CID 123573195
2-chloro-N-[6-chloro-2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-3-pyridinyl]propanamide
CID 146557731
7-Chloroacetamido-2,3-dimethylindole
CID 12542850
7-(b-Chloropropionylamino)-2,3-dimethylindole
CID 12664132

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide?
The IUPAC name of N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide (CID 788167) is N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide is CC(=O)n1c(Cl)c(NC(=O)CCl)c2ccccc21.
What is the InChIKey of N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide?
The InChIKey is XHRPFARAFYNEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7(17)16-9-5-3-2-4-8(9)11(12(16)14)15-10(18)6-13/h2-5H,6H2,1H3,(H,15,18).
What are the key properties of N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide?
N-(1-acetyl-2-chloroindol-3-yl)-2-chloroacetamide has a molecular weight of 285.13 g/mol, XLogP of 3.13, 2 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)-2-chloroacetamide is sourced from PubChem (CID 788167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).