(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

C20H23ClN2O2 — CID 7182344

IUPAC(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-15-2-1-3-16(7-15)23-18(24)8-17(19(23)25)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17,22H,4-6,8-11H2/t12?,13?,14?,17-,20?/m0/s1
InChIKeyHUADOTDIDMFKCD-UTNBAMHJSA-N
MW358.87 g/mol
LogP3.53
Rot. Bonds3

About (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 7182344) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID7182344
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c21-15-2-1-3-16(7-15)23-18(24)8-17(19(23)25)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17,22H,4-6,8-11H2/t12?,13?,14?,17-,20?/m0/s1
InChIKeyHUADOTDIDMFKCD-UTNBAMHJSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.53
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

(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7106893
(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-methylpyrrolidine-2,5-dione
CID 71519662
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
ethyl 4-[(3S)-3-(1-adamantylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7459837
N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 7288980
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 7182344) is (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is HUADOTDIDMFKCD-UTNBAMHJSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-15-2-1-3-16(7-15)23-18(24)8-17(19(23)25)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17,22H,4-6,8-11H2/t12?,13?,14?,17-,20?/m0/s1.
What are the key properties of (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 358.87 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7182344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).