2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

C12H13ClN2O2 — CID 115161891

IUPAC2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H13ClN2O2/c1-14(12(17)7-13)9-3-4-10-8(5-9)6-11(16)15(10)2/h3-5H,6-7H2,1-2H3
InChIKeySKPYZFQMHLKEDL-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.41
Rot. Bonds2

About 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (PubChem CID 115161891) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
PubChem CID115161891
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN(C(=O)CCl)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H13ClN2O2/c1-14(12(17)7-13)9-3-4-10-8(5-9)6-11(16)15(10)2/h3-5H,6-7H2,1-2H3
InChIKeySKPYZFQMHLKEDL-UHFFFAOYSA-N
XLogP1.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
CID 115166052
3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 115173643
3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid
CID 117042109
3-[ethyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 117099943
4-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]-3-oxobutanenitrile
CID 117038331
2-chloro-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylacetamide
CID 115161946
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-hydroxy-N-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115140510
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (CID 115161891) is 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is CN(C(=O)CCl)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The InChIKey is SKPYZFQMHLKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-14(12(17)7-13)9-3-4-10-8(5-9)6-11(16)15(10)2/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is sourced from PubChem (CID 115161891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).