2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide

C27H31Cl2N3O2 — CID 68565830

IUPAC2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide
SMILESO=C(CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCC1)NC1CCCCC1
InChIInChI=1S/C27H31Cl2N3O2/c28-19-7-4-6-18(14-19)16-27(22-11-10-20(29)15-23(22)32-25(27)34)26(12-5-13-26)30-17-24(33)31-21-8-2-1-3-9-21/h4,6-7,10-11,14-15,21,30H,1-3,5,8-9,12-13,16-17H2,(H,31,33)(H,32,34)
InChIKeyMGQFYUZNAKJXEJ-UHFFFAOYSA-N
MW500.47 g/mol
LogP5.39
Rot. Bonds7

About 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide

2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide (PubChem CID 68565830) has the molecular formula C27H31Cl2N3O2 and a molecular weight of 500.47 g/mol. Its IUPAC name is 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide
PubChem CID68565830
Molecular FormulaC27H31Cl2N3O2
Molecular Weight500.47 g/mol
Exact Mass499.18
IUPAC Name2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide
SMILESO=C(CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCC1)NC1CCCCC1
InChIInChI=1S/C27H31Cl2N3O2/c28-19-7-4-6-18(14-19)16-27(22-11-10-20(29)15-23(22)32-25(27)34)26(12-5-13-26)30-17-24(33)31-21-8-2-1-3-9-21/h4,6-7,10-11,14-15,21,30H,1-3,5,8-9,12-13,16-17H2,(H,31,33)(H,32,34)
InChIKeyMGQFYUZNAKJXEJ-UHFFFAOYSA-N
XLogP5.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.47
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide (CID 68565830) is 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide is O=C(CNC1(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CCC1)NC1CCCCC1.
What is the InChIKey of 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide?
The InChIKey is MGQFYUZNAKJXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N3O2/c28-19-7-4-6-18(14-19)16-27(22-11-10-20(29)15-23(22)32-25(27)34)26(12-5-13-26)30-17-24(33)31-21-8-2-1-3-9-21/h4,6-7,10-11,14-15,21,30H,1-3,5,8-9,12-13,16-17H2,(H,31,33)(H,32,34).
What are the key properties of 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide?
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide has a molecular weight of 500.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 68565830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).