(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate

C17H18Cl2N2O5 — CID 18006764

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate
SMILESO=C(CCCCCNC(=O)c1c(Cl)cccc1Cl)ON1C(=O)CCC1=O
InChIInChI=1S/C17H18Cl2N2O5/c18-11-5-4-6-12(19)16(11)17(25)20-10-3-1-2-7-15(24)26-21-13(22)8-9-14(21)23/h4-6H,1-3,7-10H2,(H,20,25)
InChIKeyCYAZKZHFYADYGX-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.89
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate (PubChem CID 18006764) has the molecular formula C17H18Cl2N2O5 and a molecular weight of 401.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate
PubChem CID18006764
Molecular FormulaC17H18Cl2N2O5
Molecular Weight401.25 g/mol
Exact Mass400.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate
SMILESO=C(CCCCCNC(=O)c1c(Cl)cccc1Cl)ON1C(=O)CCC1=O
InChIInChI=1S/C17H18Cl2N2O5/c18-11-5-4-6-12(19)16(11)17(25)20-10-3-1-2-7-15(24)26-21-13(22)8-9-14(21)23/h4-6H,1-3,7-10H2,(H,20,25)
InChIKeyCYAZKZHFYADYGX-UHFFFAOYSA-N
XLogP2.89
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate
CID 18671258
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 16-(dithiolane-4-carbonylamino)hexadecanoate
CID 169187635
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate (CID 18006764) is (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate is O=C(CCCCCNC(=O)c1c(Cl)cccc1Cl)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate?
The InChIKey is CYAZKZHFYADYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O5/c18-11-5-4-6-12(19)16(11)17(25)20-10-3-1-2-7-15(24)26-21-13(22)8-9-14(21)23/h4-6H,1-3,7-10H2,(H,20,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate has a molecular weight of 401.25 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[(2,6-dichlorobenzoyl)amino]hexanoate is sourced from PubChem (CID 18006764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).