N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C28H26ClN3O2 — CID 17462097

IUPACN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C28H26ClN3O2/c29-25-11-3-1-9-21(25)23(24-16-30-26-12-4-2-10-22(24)26)17-31-28(34)20-8-5-7-19(15-20)18-32-14-6-13-27(32)33/h1-5,7-12,15-16,23,30H,6,13-14,17-18H2,(H,31,34)
InChIKeyTYITXXBDTOEYBU-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.51
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 17462097) has the molecular formula C28H26ClN3O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID17462097
Molecular FormulaC28H26ClN3O2
Molecular Weight471.99 g/mol
Exact Mass471.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C28H26ClN3O2/c29-25-11-3-1-9-21(25)23(24-16-30-26-12-4-2-10-22(24)26)17-31-28(34)20-8-5-7-19(15-20)18-32-14-6-13-27(32)33/h1-5,7-12,15-16,23,30H,6,13-14,17-18H2,(H,31,34)
InChIKeyTYITXXBDTOEYBU-UHFFFAOYSA-N
XLogP5.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
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3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 17462097) is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is TYITXXBDTOEYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O2/c29-25-11-3-1-9-21(25)23(24-16-30-26-12-4-2-10-22(24)26)17-31-28(34)20-8-5-7-19(15-20)18-32-14-6-13-27(32)33/h1-5,7-12,15-16,23,30H,6,13-14,17-18H2,(H,31,34).
What are the key properties of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 471.99 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 17462097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).