(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride

C22H27Cl2N3O2 — CID 171710655

IUPAC(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)N2C[C@@H]3CN(C)[C@@H](c4ccccc4C)[C@@H]3C2)cc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-14-6-4-5-7-17(14)21-18-13-26(12-15(18)11-25(21)2)22(27)24-16-8-9-20(28-3)19(23)10-16;/h4-10,15,18,21H,11-13H2,1-3H3,(H,24,27);1H/t15-,18+,21-;/m0./s1
InChIKeyPMQNGXCDZVLVNW-ZZBVMRJNSA-N
MW436.38 g/mol
LogP4.85
Rot. Bonds3

About (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride

(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride (PubChem CID 171710655) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
PubChem CID171710655
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)N2C[C@@H]3CN(C)[C@@H](c4ccccc4C)[C@@H]3C2)cc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-14-6-4-5-7-17(14)21-18-13-26(12-15(18)11-25(21)2)22(27)24-16-8-9-20(28-3)19(23)10-16;/h4-10,15,18,21H,11-13H2,1-3H3,(H,24,27);1H/t15-,18+,21-;/m0./s1
InChIKeyPMQNGXCDZVLVNW-ZZBVMRJNSA-N
XLogP4.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride 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

[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dimethoxyphenyl)methanone;hydrochloride
CID 171707593
(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 71276317
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
3-[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1,6-dimethylpyridin-2-one;hydrochloride
CID 171710221
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 125165064
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 171322541
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride?
The IUPAC name of (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride (CID 171710655) is (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride.
What is the SMILES notation for (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride?
The canonical SMILES for (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride is COc1ccc(NC(=O)N2C[C@@H]3CN(C)[C@@H](c4ccccc4C)[C@@H]3C2)cc1Cl.Cl.
What is the InChIKey of (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride?
The InChIKey is PMQNGXCDZVLVNW-ZZBVMRJNSA-N. The full InChI is InChI=1S/C22H26ClN3O2.ClH/c1-14-6-4-5-7-17(14)21-18-13-26(12-15(18)11-25(21)2)22(27)24-16-8-9-20(28-3)19(23)10-16;/h4-10,15,18,21H,11-13H2,1-3H3,(H,24,27);1H/t15-,18+,21-;/m0./s1.
What are the key properties of (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride?
(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride has a molecular weight of 436.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride is sourced from PubChem (CID 171710655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).