3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione

C17H19Cl2NO2 — CID 71324814

IUPAC3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CCc1ccccc1)N1C(=O)C(Cl)=C(Cl)C1=O
InChIInChI=1S/C17H19Cl2NO2/c1-11(2)10-13(9-8-12-6-4-3-5-7-12)20-16(21)14(18)15(19)17(20)22/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCMUGBXCQYDCGDJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.09
Rot. Bonds6

About 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione

3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione (PubChem CID 71324814) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione
PubChem CID71324814
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CCc1ccccc1)N1C(=O)C(Cl)=C(Cl)C1=O
InChIInChI=1S/C17H19Cl2NO2/c1-11(2)10-13(9-8-12-6-4-3-5-7-12)20-16(21)14(18)15(19)17(20)22/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCMUGBXCQYDCGDJ-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;3-methylbutylbenzene
CID 145421013
trimethyl(2-phenylethyl)phosphanium
CID 10777798
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl) 2-methyl-4-phenylbutanoate
CID 142436809
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
3-phosphorosobutylbenzene
CID 165430186
2-methyl-4-phenylbutanoic acid
CID 66896591
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
1-(3-methylbutyl)-4-(3-methyl-1-phenylbutyl)benzene
CID 91605370

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione (CID 71324814) is 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione is CC(C)CC(CCc1ccccc1)N1C(=O)C(Cl)=C(Cl)C1=O.
What is the InChIKey of 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione?
The InChIKey is CMUGBXCQYDCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-11(2)10-13(9-8-12-6-4-3-5-7-12)20-16(21)14(18)15(19)17(20)22/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione?
3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione has a molecular weight of 340.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 71324814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).