N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide

C18H25F2N3O4 — CID 146148834

IUPACN-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide
SMILESCNC(=O)CN(CC1CCCC1(F)F)C(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H25F2N3O4/c1-21-14(24)12-22(11-13-5-4-9-18(13,19)20)15(25)6-2-3-10-23-16(26)7-8-17(23)27/h7-8,13H,2-6,9-12H2,1H3,(H,21,24)
InChIKeyZCGDOPZFCULTSV-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.09
Rot. Bonds9

About N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide

N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide (PubChem CID 146148834) has the molecular formula C18H25F2N3O4 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide
PubChem CID146148834
Molecular FormulaC18H25F2N3O4
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC NameN-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide
SMILESCNC(=O)CN(CC1CCCC1(F)F)C(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H25F2N3O4/c1-21-14(24)12-22(11-13-5-4-9-18(13,19)20)15(25)6-2-3-10-23-16(26)7-8-17(23)27/h7-8,13H,2-6,9-12H2,1H3,(H,21,24)
InChIKeyZCGDOPZFCULTSV-UHFFFAOYSA-N
XLogP1.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;N-(hydroxymethyl)-4-(4-methylphenyl)-N-propylbutanamide
CID 90725463
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
6-(2,5-dioxopyrrol-1-yl)-N-methylhexanehydrazide;2,2,2-trifluoroacetic acid
CID 70980351
6-(2,5-dioxopyrrol-1-yl)-N-piperidin-4-ylhexanamide
CID 176889456
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
CID 169205494
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
CID 155715117
(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]propanoic acid
CID 68753882
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
CID 55744687

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide?
The IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide (CID 146148834) is N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide is CNC(=O)CN(CC1CCCC1(F)F)C(=O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide?
The InChIKey is ZCGDOPZFCULTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O4/c1-21-14(24)12-22(11-13-5-4-9-18(13,19)20)15(25)6-2-3-10-23-16(26)7-8-17(23)27/h7-8,13H,2-6,9-12H2,1H3,(H,21,24).
What are the key properties of N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide?
N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide has a molecular weight of 385.41 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopentyl)methyl]-5-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 146148834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).