N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide

C20H21ClN2O2 — CID 119048773

IUPACN-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide
SMILESO=C(CN1CC2(CCOCC2)c2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-15-4-3-5-16(12-15)22-19(24)13-23-14-20(8-10-25-11-9-20)17-6-1-2-7-18(17)23/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyZPZONNSBOYCAQG-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.85
Rot. Bonds3

About N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide

N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide (PubChem CID 119048773) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide
PubChem CID119048773
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide
SMILESO=C(CN1CC2(CCOCC2)c2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-15-4-3-5-16(12-15)22-19(24)13-23-14-20(8-10-25-11-9-20)17-6-1-2-7-18(17)23/h1-7,12H,8-11,13-14H2,(H,22,24)
InChIKeyZPZONNSBOYCAQG-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875244
N-(3-chlorophenyl)-2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide;ethane
CID 144994869
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
4-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17447401
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113
4-(3-chloroanilino)oxane-4-carboxylic acid
CID 60990859
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetamide
CID 4500804
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide (CID 119048773) is N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide is O=C(CN1CC2(CCOCC2)c2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide?
The InChIKey is ZPZONNSBOYCAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-15-4-3-5-16(12-15)22-19(24)13-23-14-20(8-10-25-11-9-20)17-6-1-2-7-18(17)23/h1-7,12H,8-11,13-14H2,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide?
N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide has a molecular weight of 356.85 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide is sourced from PubChem (CID 119048773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).