(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione

C17H21ClN2O2 — CID 894163

IUPAC(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCC2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c18-13-7-4-8-14(9-13)20-16(21)10-15(17(20)22)19-11-12-5-2-1-3-6-12/h4,7-9,12,15,19H,1-3,5-6,10-11H2/t15-/m1/s1
InChIKeySMDFQCQJYZZCDK-OAHLLOKOSA-N
MW320.82 g/mol
LogP3.14
Rot. Bonds4

About (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione

(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione (PubChem CID 894163) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
PubChem CID894163
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCC2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c18-13-7-4-8-14(9-13)20-16(21)10-15(17(20)22)19-11-12-5-2-1-3-6-12/h4,7-9,12,15,19H,1-3,5-6,10-11H2/t15-/m1/s1
InChIKeySMDFQCQJYZZCDK-OAHLLOKOSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.14
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

1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792666
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 2833582
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 17324706
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7182344

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione (CID 894163) is (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione is O=C1C[C@@H](NCC2CCCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is SMDFQCQJYZZCDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-7-4-8-14(9-13)20-16(21)10-15(17(20)22)19-11-12-5-2-1-3-6-12/h4,7-9,12,15,19H,1-3,5-6,10-11H2/t15-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione?
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 320.82 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 894163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).