5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide

C18H24ClN3O3 — CID 164630649

IUPAC5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-2-20-15-4-3-12(19)11-14(15)17(23)21-16-5-8-22(18(16)24)13-6-9-25-10-7-13/h3-4,11,13,16,20H,2,5-10H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyHXKCUMRGAROUIS-INIZCTEOSA-N
MW365.86 g/mol
LogP2.28
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide

5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 164630649) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide
PubChem CID164630649
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-2-20-15-4-3-12(19)11-14(15)17(23)21-16-5-8-22(18(16)24)13-6-9-25-10-7-13/h3-4,11,13,16,20H,2,5-10H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyHXKCUMRGAROUIS-INIZCTEOSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide (CID 164630649) is 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide is CCNc1ccc(Cl)cc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is HXKCUMRGAROUIS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-2-20-15-4-3-12(19)11-14(15)17(23)21-16-5-8-22(18(16)24)13-6-9-25-10-7-13/h3-4,11,13,16,20H,2,5-10H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide?
5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[(3S)-1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 164630649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).