N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C15H19Cl2N3O — CID 66242943

IUPACN-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC1(C)C2CNCC2CN1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-15(2)11-7-18-6-9(11)8-20(15)14(21)19-13-5-10(16)3-4-12(13)17/h3-5,9,11,18H,6-8H2,1-2H3,(H,19,21)
InChIKeyCJCQJPQHQOXLLR-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.46
Rot. Bonds1

About N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 66242943) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID66242943
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC1(C)C2CNCC2CN1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-15(2)11-7-18-6-9(11)8-20(15)14(21)19-13-5-10(16)3-4-12(13)17/h3-5,9,11,18H,6-8H2,1-2H3,(H,19,21)
InChIKeyCJCQJPQHQOXLLR-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401
(3-chlorothiophen-2-yl)-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 80642610
N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 64979775
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
5-(5-chloro-2-nitrophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 115471901
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1,2-oxazol-5-yl)methanone
CID 66242939
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696
N-(2,5-dichlorophenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 135195460
N-(2,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513146
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
N-(2-chlorophenyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 66208028

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 66242943) is N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CC1(C)C2CNCC2CN1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is CJCQJPQHQOXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-15(2)11-7-18-6-9(11)8-20(15)14(21)19-13-5-10(16)3-4-12(13)17/h3-5,9,11,18H,6-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 66242943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).