2-chloro-2-(1H-indol-2-yl)acetamide

C10H9ClN2O — CID 173051897

IUPAC2-chloro-2-(1H-indol-2-yl)acetamide
SMILESNC(=O)C(Cl)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H9ClN2O/c11-9(10(12)14)8-5-6-3-1-2-4-7(6)13-8/h1-5,9,13H,(H2,12,14)
InChIKeyKCPCWSWKHWZLGJ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-2-(1H-indol-2-yl)acetamide

2-chloro-2-(1H-indol-2-yl)acetamide (PubChem CID 173051897) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-2-(1H-indol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(1H-indol-2-yl)acetamide
PubChem CID173051897
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-2-(1H-indol-2-yl)acetamide
SMILESNC(=O)C(Cl)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H9ClN2O/c11-9(10(12)14)8-5-6-3-1-2-4-7(6)13-8/h1-5,9,13H,(H2,12,14)
InChIKeyKCPCWSWKHWZLGJ-UHFFFAOYSA-N
XLogP1.93
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
(1R)-3-amino-1-(1H-indol-2-yl)propan-1-ol
CID 96625080
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
carbamic acid;1H-indol-2-ol
CID 175329326
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
CID 50901499
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
2-hydroxy-2-(1H-indol-2-yl)acetonitrile
CID 84654386
2-(1H-indol-2-yl)propanal
CID 88965178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(1H-indol-2-yl)acetamide?
The IUPAC name of 2-chloro-2-(1H-indol-2-yl)acetamide (CID 173051897) is 2-chloro-2-(1H-indol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-2-(1H-indol-2-yl)acetamide?
The canonical SMILES for 2-chloro-2-(1H-indol-2-yl)acetamide is NC(=O)C(Cl)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-chloro-2-(1H-indol-2-yl)acetamide?
The InChIKey is KCPCWSWKHWZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9(10(12)14)8-5-6-3-1-2-4-7(6)13-8/h1-5,9,13H,(H2,12,14).
What are the key properties of 2-chloro-2-(1H-indol-2-yl)acetamide?
2-chloro-2-(1H-indol-2-yl)acetamide has a molecular weight of 208.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(1H-indol-2-yl)acetamide is sourced from PubChem (CID 173051897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).