3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C12H13ClN2O3 — CID 82160149

IUPAC3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)CC(N)C1=O
InChIInChI=1S/C12H13ClN2O3/c1-18-10-3-2-8(13)4-7(10)6-15-11(16)5-9(14)12(15)17/h2-4,9H,5-6,14H2,1H3
InChIKeyMFXZFQBURJXHKW-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 82160149) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID82160149
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)CC(N)C1=O
InChIInChI=1S/C12H13ClN2O3/c1-18-10-3-2-8(13)4-7(10)6-15-11(16)5-9(14)12(15)17/h2-4,9H,5-6,14H2,1H3
InChIKeyMFXZFQBURJXHKW-UHFFFAOYSA-N
XLogP0.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159012
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62019696
3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122133580
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 8851903
3-amino-1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinolin-2-one;hydrochloride
CID 67595683
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
3-[(5-chloro-2-methoxyphenyl)methyl]oxolane-2,5-dione
CID 82159776
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 82160149) is 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(Cl)cc1CN1C(=O)CC(N)C1=O.
What is the InChIKey of 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MFXZFQBURJXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-18-10-3-2-8(13)4-7(10)6-15-11(16)5-9(14)12(15)17/h2-4,9H,5-6,14H2,1H3.
What are the key properties of 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 268.70 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).