N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride

C12H13ClN2O2 — CID 115195045

IUPACN-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)C(=O)Cl
InChIInChI=1S/C12H13ClN2O2/c1-15(12(13)17)5-4-8-2-3-10-9(6-8)7-11(16)14-10/h2-3,6H,4-5,7H2,1H3,(H,14,16)
InChIKeySDEYVOCAPPBHLF-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride

N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride (PubChem CID 115195045) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
PubChem CID115195045
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
SMILESCN(CCc1ccc2c(c1)CC(=O)N2)C(=O)Cl
InChIInChI=1S/C12H13ClN2O2/c1-15(12(13)17)5-4-8-2-3-10-9(6-8)7-11(16)14-10/h2-3,6H,4-5,7H2,1H3,(H,14,16)
InChIKeySDEYVOCAPPBHLF-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
CID 115257043
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
2-hydroxy-N-methyl-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 115140170
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
5-butyl-1,3-dihydroindol-2-one
CID 10219749
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride?
The IUPAC name of N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride (CID 115195045) is N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride.
What is the SMILES notation for N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride?
The canonical SMILES for N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride is CN(CCc1ccc2c(c1)CC(=O)N2)C(=O)Cl.
What is the InChIKey of N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride?
The InChIKey is SDEYVOCAPPBHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15(12(13)17)5-4-8-2-3-10-9(6-8)7-11(16)14-10/h2-3,6H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride?
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride has a molecular weight of 252.70 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride is sourced from PubChem (CID 115195045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).