3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione

C21H21ClN2O2 — CID 110569609

IUPAC3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C21H21ClN2O2/c1-3-13-24-20(25)18(16-9-11-17(22)12-10-16)19(21(24)26)23(2)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3
InChIKeyWBTOSUWEZXWVSY-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.96
Rot. Bonds6

About 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione

3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione (PubChem CID 110569609) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
PubChem CID110569609
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C21H21ClN2O2/c1-3-13-24-20(25)18(16-9-11-17(22)12-10-16)19(21(24)26)23(2)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3
InChIKeyWBTOSUWEZXWVSY-UHFFFAOYSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.96
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

3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569648
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
CID 110569241
N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562626
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110570002
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543211
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110569337
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110548902
3-(4-chlorophenyl)-1-hexyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110570082
3-[benzyl(methyl)amino]-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574907
N-[4-[1-benzyl-4-[benzyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562529

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione (CID 110569609) is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione?
The InChIKey is WBTOSUWEZXWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-3-13-24-20(25)18(16-9-11-17(22)12-10-16)19(21(24)26)23(2)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione?
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione has a molecular weight of 368.86 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110569609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).