(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione

C16H13ClF2N2O4 — CID 1255523

IUPAC(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C16H13ClF2N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)21-14(22)8-13(15(21)23)20-9-12-2-1-7-24-12/h1-7,13,20H,8-9H2/t13-/m1/s1
InChIKeyANENHNHLHYYZDT-CYBMUJFWSA-N
MW370.74 g/mol
LogP2.87
Rot. Bonds6

About (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione

(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 1255523) has the molecular formula C16H13ClF2N2O4 and a molecular weight of 370.74 g/mol. Its IUPAC name is (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID1255523
Molecular FormulaC16H13ClF2N2O4
Molecular Weight370.74 g/mol
Exact Mass370.05
IUPAC Name(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C16H13ClF2N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)21-14(22)8-13(15(21)23)20-9-12-2-1-7-24-12/h1-7,13,20H,8-9H2/t13-/m1/s1
InChIKeyANENHNHLHYYZDT-CYBMUJFWSA-N
XLogP2.87
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione
CID 125117834
3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636084
4-[[[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]methyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295764
1-[4-[chloro(difluoro)methoxy]phenyl]-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 4047802
ethyl 4-[(3R)-2,5-dioxo-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-1-yl]benzoate
CID 27356759
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 725535
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione (CID 1255523) is (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione is O=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is ANENHNHLHYYZDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13ClF2N2O4/c17-16(18,19)25-11-5-3-10(4-6-11)21-14(22)8-13(15(21)23)20-9-12-2-1-7-24-12/h1-7,13,20H,8-9H2/t13-/m1/s1.
What are the key properties of (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione?
(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 370.74 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 1255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).