(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide

C18H22ClN2O2+ — CID 8861848

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
SMILESCCc1ccc(C)[n+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H21ClN2O2/c1-5-14-7-6-12(2)21(11-14)13(3)18(22)20-16-10-15(19)8-9-17(16)23-4/h6-11,13H,5H2,1-4H3/p+1/t13-/m1/s1
InChIKeyIHPVLTPJMBPLNY-CYBMUJFWSA-O
MW333.84 g/mol
LogP3.71
Rot. Bonds5

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8861848) has the molecular formula C18H22ClN2O2+ and a molecular weight of 333.84 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8861848
Molecular FormulaC18H22ClN2O2+
Molecular Weight333.84 g/mol
Exact Mass333.14
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
SMILESCCc1ccc(C)[n+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H21ClN2O2/c1-5-14-7-6-12(2)21(11-14)13(3)18(22)20-16-10-15(19)8-9-17(16)23-4/h6-11,13H,5H2,1-4H3/p+1/t13-/m1/s1
InChIKeyIHPVLTPJMBPLNY-CYBMUJFWSA-O
XLogP3.71
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,5-dichlorophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861932
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 2606991
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
CID 4055904
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506364

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide (CID 8861848) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide is CCc1ccc(C)[n+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is IHPVLTPJMBPLNY-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H21ClN2O2/c1-5-14-7-6-12(2)21(11-14)13(3)18(22)20-16-10-15(19)8-9-17(16)23-4/h6-11,13H,5H2,1-4H3/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 333.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8861848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).