N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C23H25ClN4O3 — CID 45351971

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20(27-11-3-4-12-27)13-25-22(30)17-9-7-16(8-10-17)15-28-21(29)14-26-23(28)31/h1-2,5-10,20H,3-4,11-15H2,(H,25,30)(H,26,31)
InChIKeyYHYWFUCPPFXTFS-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.96
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 45351971) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID45351971
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20(27-11-3-4-12-27)13-25-22(30)17-9-7-16(8-10-17)15-28-21(29)14-26-23(28)31/h1-2,5-10,20H,3-4,11-15H2,(H,25,30)(H,26,31)
InChIKeyYHYWFUCPPFXTFS-UHFFFAOYSA-N
XLogP2.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 46650781
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39959510
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 45351971) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NCC(c1ccccc1Cl)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is YHYWFUCPPFXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-19-6-2-1-5-18(19)20(27-11-3-4-12-27)13-25-22(30)17-9-7-16(8-10-17)15-28-21(29)14-26-23(28)31/h1-2,5-10,20H,3-4,11-15H2,(H,25,30)(H,26,31).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 440.93 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 45351971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).