N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C19H17ClN2O3 — CID 1080723

IUPACN-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12(23)21-16-3-2-4-17(11-16)22-18(24)10-14(19(22)25)9-13-5-7-15(20)8-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyHQGCTUDDQFWYHZ-AWEZNQCLSA-N
MW356.81 g/mol
LogP3.42
Rot. Bonds4

About N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 1080723) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID1080723
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12(23)21-16-3-2-4-17(11-16)22-18(24)10-14(19(22)25)9-13-5-7-15(20)8-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyHQGCTUDDQFWYHZ-AWEZNQCLSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
ethyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1302728
(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
CID 797214
1-(3-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 110457904
(3R)-3-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 1091337
3-[3-(3-benzyl-2,5-dioxopyrrolidin-1-yl)phenyl]prop-2-enoic acid
CID 3494837
3-[3-[(3R)-3-benzyl-2,5-dioxopyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 906515

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 1080723) is N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is HQGCTUDDQFWYHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12(23)21-16-3-2-4-17(11-16)22-18(24)10-14(19(22)25)9-13-5-7-15(20)8-6-13/h2-8,11,14H,9-10H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 1080723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).