N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one

C27H34Cl2N2O2 — CID 143373593

IUPACN-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
SMILESCC(=O)NC(C)(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H21Cl2NO.C6H13NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-5(8)7-6(2,3)4/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);1-4H3,(H,7,8)
InChIKeyNBZNYGITFHVTOO-UHFFFAOYSA-N
MW489.49 g/mol
LogP6.93
Rot. Bonds3

About N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one

N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one (PubChem CID 143373593) has the molecular formula C27H34Cl2N2O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one.

Molecular Properties

Compound NameN-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
PubChem CID143373593
Molecular FormulaC27H34Cl2N2O2
Molecular Weight489.49 g/mol
Exact Mass488.20
IUPAC NameN-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
SMILESCC(=O)NC(C)(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H21Cl2NO.C6H13NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-5(8)7-6(2,3)4/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);1-4H3,(H,7,8)
InChIKeyNBZNYGITFHVTOO-UHFFFAOYSA-N
XLogP6.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.49
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
CID 143373595
6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
CID 11998151
N-tert-butyl-2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]acetamide
CID 68565850
3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
CID 11998894
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
CID 66991650
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide
CID 68565830
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclopentylamino]-N-cyclobutylacetamide
CID 57479175
(4-acetylpiperazin-1-yl) N-[1-[(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-2-yl]carbamate
CID 68564259
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide
CID 68567306
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
CID 24950918

Frequently Asked Questions

What is the IUPAC name of N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one?
The IUPAC name of N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one (CID 143373593) is N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one.
What is the SMILES notation for N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one?
The canonical SMILES for N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one is CC(=O)NC(C)(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one?
The InChIKey is NBZNYGITFHVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO.C6H13NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-5(8)7-6(2,3)4/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);1-4H3,(H,7,8).
What are the key properties of N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one?
N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one has a molecular weight of 489.49 g/mol, XLogP of 6.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one is sourced from PubChem (CID 143373593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).