N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C20H17ClN2O2 — CID 52537596

IUPACN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN2O2/c1-11-18(15-4-2-3-5-16(15)22-11)19(24)20(25)23-17-9-6-12-10-13(21)7-8-14(12)17/h2-5,7-8,10,17,22H,6,9H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyWTXXZHVPBICKHX-KRWDZBQOSA-N
MW352.82 g/mol
LogP4.12
Rot. Bonds3

About N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 52537596) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID52537596
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN2O2/c1-11-18(15-4-2-3-5-16(15)22-11)19(24)20(25)23-17-9-6-12-10-13(21)7-8-14(12)17/h2-5,7-8,10,17,22H,6,9H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyWTXXZHVPBICKHX-KRWDZBQOSA-N
XLogP4.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 52537596) is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is WTXXZHVPBICKHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-11-18(15-4-2-3-5-16(15)22-11)19(24)20(25)23-17-9-6-12-10-13(21)7-8-14(12)17/h2-5,7-8,10,17,22H,6,9H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 352.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 52537596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).