(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide

C22H28ClN2O4+ — CID 11934246

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
SMILESCOc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C22H27ClN2O4/c1-14(22(26)24-18-12-15(23)7-10-20(18)28-3)25-11-5-6-19(25)17-9-8-16(27-2)13-21(17)29-4/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,24,26)/p+1/t14-,19-/m1/s1
InChIKeySVXOGTJUGAEKPO-AUUYWEPGSA-O
MW419.93 g/mol
LogP3.11
Rot. Bonds7

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide (PubChem CID 11934246) has the molecular formula C22H28ClN2O4+ and a molecular weight of 419.93 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
PubChem CID11934246
Molecular FormulaC22H28ClN2O4+
Molecular Weight419.93 g/mol
Exact Mass419.17
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
SMILESCOc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1
InChIInChI=1S/C22H27ClN2O4/c1-14(22(26)24-18-12-15(23)7-10-20(18)28-3)25-11-5-6-19(25)17-9-8-16(27-2)13-21(17)29-4/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,24,26)/p+1/t14-,19-/m1/s1
InChIKeySVXOGTJUGAEKPO-AUUYWEPGSA-O
XLogP3.11
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934290
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934292
N-(5-chloro-2-methoxyphenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8853708
(2S)-N-cyclopropyl-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933891
N-(4-chloro-2-methylphenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8854265
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933933
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
CID 7437037
N-(4-chloro-2-nitrophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8853813
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide (CID 11934246) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide is COc1ccc([C@H]2CCC[NH+]2[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
The InChIKey is SVXOGTJUGAEKPO-AUUYWEPGSA-O. The full InChI is InChI=1S/C22H27ClN2O4/c1-14(22(26)24-18-12-15(23)7-10-20(18)28-3)25-11-5-6-19(25)17-9-8-16(27-2)13-21(17)29-4/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,24,26)/p+1/t14-,19-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide has a molecular weight of 419.93 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 11934246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).