1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

C30H29ClFN3O3 — CID 162651368

IUPAC1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(C(=O)c1ccc(F)cc1)C2C
InChIInChI=1S/C30H29ClFN3O3/c1-19-30(13-15-34(16-14-30)20(2)36)25-17-22(28(37)33-18-23-5-3-4-6-26(23)31)9-12-27(25)35(19)29(38)21-7-10-24(32)11-8-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,33,37)
InChIKeySOFYIZHQXWPJJY-UHFFFAOYSA-N
MW534.03 g/mol
LogP5.34
Rot. Bonds4

About 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 162651368) has the molecular formula C30H29ClFN3O3 and a molecular weight of 534.03 g/mol. Its IUPAC name is 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID162651368
Molecular FormulaC30H29ClFN3O3
Molecular Weight534.03 g/mol
Exact Mass533.19
IUPAC Name1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(C(=O)c1ccc(F)cc1)C2C
InChIInChI=1S/C30H29ClFN3O3/c1-19-30(13-15-34(16-14-30)20(2)36)25-17-22(28(37)33-18-23-5-3-4-6-26(23)31)9-12-27(25)35(19)29(38)21-7-10-24(32)11-8-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,33,37)
InChIKeySOFYIZHQXWPJJY-UHFFFAOYSA-N
XLogP5.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.03
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (CID 162651368) is 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(C(=O)c1ccc(F)cc1)C2C.
What is the InChIKey of 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is SOFYIZHQXWPJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClFN3O3/c1-19-30(13-15-34(16-14-30)20(2)36)25-17-22(28(37)33-18-23-5-3-4-6-26(23)31)9-12-27(25)35(19)29(38)21-7-10-24(32)11-8-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,33,37).
What are the key properties of 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 534.03 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzoyl)-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 162651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).