N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide

C21H21ClN2O2 — CID 171987181

IUPACN-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide
SMILESC/C(=C(/NC(=O)c1ccccc1)C(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)19(21(26)24-13-5-6-14-24)23-20(25)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3,(H,23,25)/b19-15-
InChIKeyZCEKRCSFEPEXNJ-CYVLTUHYSA-N
MW368.86 g/mol
LogP4.12
Rot. Bonds4

About N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide

N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide (PubChem CID 171987181) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide
PubChem CID171987181
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide
SMILESC/C(=C(/NC(=O)c1ccccc1)C(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)19(21(26)24-13-5-6-14-24)23-20(25)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3,(H,23,25)/b19-15-
InChIKeyZCEKRCSFEPEXNJ-CYVLTUHYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide (CID 171987181) is N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide is C/C(=C(/NC(=O)c1ccccc1)C(=O)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide?
The InChIKey is ZCEKRCSFEPEXNJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)19(21(26)24-13-5-6-14-24)23-20(25)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3,(H,23,25)/b19-15-.
What are the key properties of N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide?
N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide is sourced from PubChem (CID 171987181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).