N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C17H18ClF3N2O3 — CID 2219846

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H18ClF3N2O3/c18-13-6-5-11(10-12(13)17(19,20)21)22-14(24)4-2-1-3-9-23-15(25)7-8-16(23)26/h5-6,10H,1-4,7-9H2,(H,22,24)
InChIKeyIWEZPSYHAJZUJX-UHFFFAOYSA-N
MW390.79 g/mol
LogP4.01
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 2219846) has the molecular formula C17H18ClF3N2O3 and a molecular weight of 390.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID2219846
Molecular FormulaC17H18ClF3N2O3
Molecular Weight390.79 g/mol
Exact Mass390.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H18ClF3N2O3/c18-13-6-5-11(10-12(13)17(19,20)21)22-14(24)4-2-1-3-9-23-15(25)7-8-16(23)26/h5-6,10H,1-4,7-9H2,(H,22,24)
InChIKeyIWEZPSYHAJZUJX-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

8-Isoquinolinecarboxamide,N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4,4a,7,8,8a-octahydro-1-oxo-2-(phenylmethyl)-,(4aR,8S,,8aR)-
CID 45256309
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 3603561
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783426
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-phenyl-prolinamide
CID 49864874
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2100439
N-(4-chloro-2-methylphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219810
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4845483
N-(3-chloro-2-methylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
CID 6462805
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide
CID 9114768
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 25162005
[1-[4-Chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 156010451

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 2219846) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is IWEZPSYHAJZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2O3/c18-13-6-5-11(10-12(13)17(19,20)21)22-14(24)4-2-1-3-9-23-15(25)7-8-16(23)26/h5-6,10H,1-4,7-9H2,(H,22,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 390.79 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 2219846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).