2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide

C12H13ClN2O — CID 12542850

IUPAC2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide
SMILESCc1[nH]c2c(NC(=O)CCl)cccc2c1C
InChIInChI=1S/C12H13ClN2O/c1-7-8(2)14-12-9(7)4-3-5-10(12)15-11(16)6-13/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyRINVQUUKYYCKCQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.96
Rot. Bonds2

About 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide

2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide (PubChem CID 12542850) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide
PubChem CID12542850
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide
SMILESCc1[nH]c2c(NC(=O)CCl)cccc2c1C
InChIInChI=1S/C12H13ClN2O/c1-7-8(2)14-12-9(7)4-3-5-10(12)15-11(16)6-13/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyRINVQUUKYYCKCQ-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide (CID 12542850) is 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide is Cc1[nH]c2c(NC(=O)CCl)cccc2c1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide?
The InChIKey is RINVQUUKYYCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7-8(2)14-12-9(7)4-3-5-10(12)15-11(16)6-13/h3-5,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide?
2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide has a molecular weight of 236.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethyl-1H-indol-7-yl)acetamide is sourced from PubChem (CID 12542850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).