1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

C33H33FN4O5 — CID 43820154

IUPAC1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESO=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCC2)c2ccccc21
InChIInChI=1S/C33H33FN4O5/c34-24-9-7-23(8-10-24)21-38(29(39)22-37-28-6-2-1-5-27(28)30(40)31(37)41)33(15-3-4-16-33)32(42)35-25-11-13-26(14-12-25)36-17-19-43-20-18-36/h1-2,5-14H,3-4,15-22H2,(H,35,42)
InChIKeyCFIDJHNMCHDFNJ-UHFFFAOYSA-N
MW584.65 g/mol
LogP4.17
Rot. Bonds8

About 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 43820154) has the molecular formula C33H33FN4O5 and a molecular weight of 584.65 g/mol. Its IUPAC name is 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
PubChem CID43820154
Molecular FormulaC33H33FN4O5
Molecular Weight584.65 g/mol
Exact Mass584.24
IUPAC Name1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESO=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCC2)c2ccccc21
InChIInChI=1S/C33H33FN4O5/c34-24-9-7-23(8-10-24)21-38(29(39)22-37-28-6-2-1-5-27(28)30(40)31(37)41)33(15-3-4-16-33)32(42)35-25-11-13-26(14-12-25)36-17-19-43-20-18-36/h1-2,5-14H,3-4,15-22H2,(H,35,42)
InChIKeyCFIDJHNMCHDFNJ-UHFFFAOYSA-N
XLogP4.17
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 43821471
1-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 3483081
N-(1,3-benzodioxol-5-yl)-1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]cyclopentane-1-carboxamide
CID 2717434
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 43820047
N-(1,3-benzodioxol-5-yl)-1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]cyclohexane-1-carboxamide
CID 4622849
2-(4-chlorophenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43820051
2-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43820093
1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 43819519
1-[benzyl-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 98203285
(2S,4aR,9aS)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)-3,4,4a,9,9a,10-hexahydro-1H-anthracene-2-carboxamide
CID 99650044
2-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43820112
1-[benzyl-[2-[(1R,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 17037649

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (CID 43820154) is 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is O=C1C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCC2)c2ccccc21.
What is the InChIKey of 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is CFIDJHNMCHDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O5/c34-24-9-7-23(8-10-24)21-38(29(39)22-37-28-6-2-1-5-27(28)30(40)31(37)41)33(15-3-4-16-33)32(42)35-25-11-13-26(14-12-25)36-17-19-43-20-18-36/h1-2,5-14H,3-4,15-22H2,(H,35,42).
What are the key properties of 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 584.65 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 43820154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).