(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide

C21H26ClN2O3+ — CID 11934290

IUPAC(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
SMILESCOc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(21(25)23-16-8-6-15(22)7-9-16)24-12-4-5-19(24)18-11-10-17(26-2)13-20(18)27-3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,23,25)/p+1/t14-,19-/m1/s1
InChIKeyGANBQEPNVRZOLJ-AUUYWEPGSA-O
MW389.90 g/mol
LogP3.10
Rot. Bonds6

About (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide

(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide (PubChem CID 11934290) has the molecular formula C21H26ClN2O3+ and a molecular weight of 389.90 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
PubChem CID11934290
Molecular FormulaC21H26ClN2O3+
Molecular Weight389.90 g/mol
Exact Mass389.16
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
SMILESCOc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(21(25)23-16-8-6-15(22)7-9-16)24-12-4-5-19(24)18-11-10-17(26-2)13-20(18)27-3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,23,25)/p+1/t14-,19-/m1/s1
InChIKeyGANBQEPNVRZOLJ-AUUYWEPGSA-O
XLogP3.10
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934246
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934292
(2S)-N-cyclopropyl-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933891
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933933
N-(5-chloro-2-methoxyphenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8853708
N-(4-chloro-2-methylphenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8854265
N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide
CID 121324026
4-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8835136
4-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 11934382
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8835014
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 11933956

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide (CID 11934290) is (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide is COc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The InChIKey is GANBQEPNVRZOLJ-AUUYWEPGSA-O. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(21(25)23-16-8-6-15(22)7-9-16)24-12-4-5-19(24)18-11-10-17(26-2)13-20(18)27-3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,23,25)/p+1/t14-,19-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide has a molecular weight of 389.90 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 11934290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).