N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C23H27ClN2O3 — CID 7288980

IUPACN-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C23H27ClN2O3/c1-14(27)25(13-23-10-15-5-16(11-23)7-17(6-15)12-23)20-9-21(28)26(22(20)29)19-4-2-3-18(24)8-19/h2-4,8,15-17,20H,5-7,9-13H2,1H3/t15?,16?,17?,20-,23?/m0/s1
InChIKeyOZYLXGUWIMYHKZ-SXYIGIQMSA-N
MW414.93 g/mol
LogP4.04
Rot. Bonds4

About N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 7288980) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID7288980
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C23H27ClN2O3/c1-14(27)25(13-23-10-15-5-16(11-23)7-17(6-15)12-23)20-9-21(28)26(22(20)29)19-4-2-3-18(24)8-19/h2-4,8,15-17,20H,5-7,9-13H2,1H3/t15?,16?,17?,20-,23?/m0/s1
InChIKeyOZYLXGUWIMYHKZ-SXYIGIQMSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 1364939
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23802024
N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 7288984
(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7182344
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
CID 23998873
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-phenylethyl)acetamide
CID 3109144
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7106893
N-[2-(1-adamantyloxy)ethyl]-N-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide
CID 51399934
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23745452
2-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 776640

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 7288980) is N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is CC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is OZYLXGUWIMYHKZ-SXYIGIQMSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-14(27)25(13-23-10-15-5-16(11-23)7-17(6-15)12-23)20-9-21(28)26(22(20)29)19-4-2-3-18(24)8-19/h2-4,8,15-17,20H,5-7,9-13H2,1H3/t15?,16?,17?,20-,23?/m0/s1.
What are the key properties of N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7288980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).