1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione

C19H19FN2O2 — CID 86783447

IUPAC1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(F)cc1CNc1ccccc1CN1C(=O)CCC1=O
InChIInChI=1S/C19H19FN2O2/c1-13-6-7-16(20)10-15(13)11-21-17-5-3-2-4-14(17)12-22-18(23)8-9-19(22)24/h2-7,10,21H,8-9,11-12H2,1H3
InChIKeySLCAUDCYTSGDSQ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.40
Rot. Bonds5

About 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione

1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 86783447) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID86783447
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(F)cc1CNc1ccccc1CN1C(=O)CCC1=O
InChIInChI=1S/C19H19FN2O2/c1-13-6-7-16(20)10-15(13)11-21-17-5-3-2-4-14(17)12-22-18(23)8-9-19(22)24/h2-7,10,21H,8-9,11-12H2,1H3
InChIKeySLCAUDCYTSGDSQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.40
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

2-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]aniline
CID 105371074
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105371718
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 17456860
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione (CID 86783447) is 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione is Cc1ccc(F)cc1CNc1ccccc1CN1C(=O)CCC1=O.
What is the InChIKey of 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is SLCAUDCYTSGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-6-7-16(20)10-15(13)11-21-17-5-3-2-4-14(17)12-22-18(23)8-9-19(22)24/h2-7,10,21H,8-9,11-12H2,1H3.
What are the key properties of 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 326.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-fluoro-2-methylphenyl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).