(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide

C21H17Cl2N2O2+ — CID 8858648

IUPAC(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c1-14(21(27)24-19-13-17(22)7-8-18(19)23)25-11-9-16(10-12-25)20(26)15-5-3-2-4-6-15/h2-14H,1H3/p+1/t14-/m1/s1
InChIKeySZLKXTCUNDNFKL-CQSZACIVSA-O
MW400.29 g/mol
LogP4.71
Rot. Bonds5

About (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide

(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 8858648) has the molecular formula C21H17Cl2N2O2+ and a molecular weight of 400.29 g/mol. Its IUPAC name is (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide
PubChem CID8858648
Molecular FormulaC21H17Cl2N2O2+
Molecular Weight400.29 g/mol
Exact Mass399.07
IUPAC Name(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[n+]1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c1-14(21(27)24-19-13-17(22)7-8-18(19)23)25-11-9-16(10-12-25)20(26)15-5-3-2-4-6-15/h2-14H,1H3/p+1/t14-/m1/s1
InChIKeySZLKXTCUNDNFKL-CQSZACIVSA-O
XLogP4.71
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 54.71
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-isoquinolin-2-ium-2-ylpropanamide
CID 8828976
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide
CID 8877484
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(3-cyanophenyl)propanamide
CID 8858635
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727
(2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-benzylpropanamide
CID 8858580
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide (CID 8858648) is (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide is C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[n+]1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is SZLKXTCUNDNFKL-CQSZACIVSA-O. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-14(21(27)24-19-13-17(22)7-8-18(19)23)25-11-9-16(10-12-25)20(26)15-5-3-2-4-6-15/h2-14H,1H3/p+1/t14-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide?
(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 400.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 8858648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).