N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide

C60H65Cl2F2N7O8 — CID 158466205

IUPACN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC(C)(C)C)cc12
InChIInChI=1S/C30H34ClFN4O4.C30H31ClFN3O4/c1-18(37)23-15-35(25-11-8-20(12-22(23)25)34-26(38)13-30(2,3)4)17-28(40)36(21-9-10-21)16-27(39)33-14-19-6-5-7-24(31)29(19)32;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32/h5-8,11-12,15,21H,9-10,13-14,16-17H2,1-4H3,(H,33,39)(H,34,38);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38)
InChIKeyHFTXSLXHLFMINL-UHFFFAOYSA-N
MW1121.12 g/mol
LogP10.17
Rot. Bonds22

About N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide

N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide (PubChem CID 158466205) has the molecular formula C60H65Cl2F2N7O8 and a molecular weight of 1121.12 g/mol. Its IUPAC name is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
PubChem CID158466205
Molecular FormulaC60H65Cl2F2N7O8
Molecular Weight1121.12 g/mol
Exact Mass1119.42
IUPAC NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC(C)(C)C)cc12
InChIInChI=1S/C30H34ClFN4O4.C30H31ClFN3O4/c1-18(37)23-15-35(25-11-8-20(12-22(23)25)34-26(38)13-30(2,3)4)17-28(40)36(21-9-10-21)16-27(39)33-14-19-6-5-7-24(31)29(19)32;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32/h5-8,11-12,15,21H,9-10,13-14,16-17H2,1-4H3,(H,33,39)(H,34,38);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38)
InChIKeyHFTXSLXHLFMINL-UHFFFAOYSA-N
XLogP10.17
TPSA188.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.12
LogP ≤ 510.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide with MolForge

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Related Compounds

(2S,4R)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-5-cyano-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 57520001
(2R,3S,4R)-1-[2-(3-acetylindol-1-yl)acetyl]-4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 68283037
(2R,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-3,4-difluoropyrrolidine-2-carboxamide
CID 68283124
(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-[2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 68283555
(1R,3S,4S)-2-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 68283604
(2S,4R)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-4-methylpyrrolidine-2-carboxamide
CID 68283699
1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5,6-difluoroindole-3-carboxamide
CID 68283716
(2S,4R)-1-[2-(3-acetyl-6-chloroindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 68283764
1-{2-[(1R,3S,5R)-3-(3-Chloro-2-fluoro-benzylcarbamoyl)-2-aza-bicyclo[3.1.0]hex-2-yl]-2-oxo-ethyl}-1H-indole-3-carboxylic acid amide
CID 68283973
(2S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-4-(aminomethyl)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 68283974
(2S,4R)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 68284072
5-chloro-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indole-3-carboxamide
CID 68284206

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide (CID 158466205) is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC(C)(C)C)cc12.
What is the InChIKey of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
The InChIKey is HFTXSLXHLFMINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN4O4.C30H31ClFN3O4/c1-18(37)23-15-35(25-11-8-20(12-22(23)25)34-26(38)13-30(2,3)4)17-28(40)36(21-9-10-21)16-27(39)33-14-19-6-5-7-24(31)29(19)32;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32/h5-8,11-12,15,21H,9-10,13-14,16-17H2,1-4H3,(H,33,39)(H,34,38);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38).
What are the key properties of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide?
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide has a molecular weight of 1121.12 g/mol, XLogP of 10.17, 22 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-dimethylbutanamide;2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide is sourced from PubChem (CID 158466205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).