2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

C19H19ClN2O2 — CID 110681932

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N1CC(CC(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-12-15(16-7-3-5-9-18(16)22)10-19(24)21-11-14-6-2-4-8-17(14)20/h2-9,15H,10-12H2,1H3,(H,21,24)
InChIKeyMQFHZEOEUSZFTQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.50
Rot. Bonds4

About 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 110681932) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID110681932
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N1CC(CC(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-12-15(16-7-3-5-9-18(16)22)10-19(24)21-11-14-6-2-4-8-17(14)20/h2-9,15H,10-12H2,1H3,(H,21,24)
InChIKeyMQFHZEOEUSZFTQ-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 18554006
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
3-ethyl-2,3-dihydroindole-1-carbonyl chloride
CID 45081952

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 110681932) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is CC(=O)N1CC(CC(=O)NCc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is MQFHZEOEUSZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(23)22-12-15(16-7-3-5-9-18(16)22)10-19(24)21-11-14-6-2-4-8-17(14)20/h2-9,15H,10-12H2,1H3,(H,21,24).
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 110681932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).