2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide

C28H34Cl2N4O3 — CID 66992066

IUPAC2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide
SMILESCC1CCC[C@@H](N(CC(=O)NN2CCOCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C28H34Cl2N4O3/c1-19-4-2-7-23(14-19)34(18-26(35)32-33-10-12-37-13-11-33)28(17-20-5-3-6-21(29)15-20)24-9-8-22(30)16-25(24)31-27(28)36/h3,5-6,8-9,15-16,19,23H,2,4,7,10-14,17-18H2,1H3,(H,31,36)(H,32,35)/t19?,23-,28?/m1/s1
InChIKeyZAGCBUPLMMJLMV-VTDHPELSSA-N
MW545.51 g/mol
LogP4.63
Rot. Bonds7

About 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide

2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide (PubChem CID 66992066) has the molecular formula C28H34Cl2N4O3 and a molecular weight of 545.51 g/mol. Its IUPAC name is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide
PubChem CID66992066
Molecular FormulaC28H34Cl2N4O3
Molecular Weight545.51 g/mol
Exact Mass544.20
IUPAC Name2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide
SMILESCC1CCC[C@@H](N(CC(=O)NN2CCOCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C28H34Cl2N4O3/c1-19-4-2-7-23(14-19)34(18-26(35)32-33-10-12-37-13-11-33)28(17-20-5-3-6-21(29)15-20)24-9-8-22(30)16-25(24)31-27(28)36/h3,5-6,8-9,15-16,19,23H,2,4,7,10-14,17-18H2,1H3,(H,31,36)(H,32,35)/t19?,23-,28?/m1/s1
InChIKeyZAGCBUPLMMJLMV-VTDHPELSSA-N
XLogP4.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide (CID 66992066) is 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide is CC1CCC[C@@H](N(CC(=O)NN2CCOCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1.
What is the InChIKey of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide?
The InChIKey is ZAGCBUPLMMJLMV-VTDHPELSSA-N. The full InChI is InChI=1S/C28H34Cl2N4O3/c1-19-4-2-7-23(14-19)34(18-26(35)32-33-10-12-37-13-11-33)28(17-20-5-3-6-21(29)15-20)24-9-8-22(30)16-25(24)31-27(28)36/h3,5-6,8-9,15-16,19,23H,2,4,7,10-14,17-18H2,1H3,(H,31,36)(H,32,35)/t19?,23-,28?/m1/s1.
What are the key properties of 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide?
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide has a molecular weight of 545.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-[(1R)-3-methylcyclohexyl]amino]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 66992066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).