N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide

C15H14ClF3N4O4 — CID 40578360

IUPACN-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NN[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H14ClF3N4O4/c1-7(24)20-6-12(25)22-21-11-5-13(26)23(14(11)27)8-2-3-10(16)9(4-8)15(17,18)19/h2-4,11,21H,5-6H2,1H3,(H,20,24)(H,22,25)/t11-/m0/s1
InChIKeyUHJAYIZVRPGNKL-NSHDSACASA-N
MW406.75 g/mol
LogP0.75
Rot. Bonds5

About N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide

N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide (PubChem CID 40578360) has the molecular formula C15H14ClF3N4O4 and a molecular weight of 406.75 g/mol. Its IUPAC name is N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide
PubChem CID40578360
Molecular FormulaC15H14ClF3N4O4
Molecular Weight406.75 g/mol
Exact Mass406.07
IUPAC NameN-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NN[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H14ClF3N4O4/c1-7(24)20-6-12(25)22-21-11-5-13(26)23(14(11)27)8-2-3-10(16)9(4-8)15(17,18)19/h2-4,11,21H,5-6H2,1H3,(H,20,24)(H,22,25)/t11-/m0/s1
InChIKeyUHJAYIZVRPGNKL-NSHDSACASA-N
XLogP0.75
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide (CID 40578360) is N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NN[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide?
The InChIKey is UHJAYIZVRPGNKL-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClF3N4O4/c1-7(24)20-6-12(25)22-21-11-5-13(26)23(14(11)27)8-2-3-10(16)9(4-8)15(17,18)19/h2-4,11,21H,5-6H2,1H3,(H,20,24)(H,22,25)/t11-/m0/s1.
What are the key properties of N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide?
N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide has a molecular weight of 406.75 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]hydrazinyl]-2-oxoethyl]acetamide is sourced from PubChem (CID 40578360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).