[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

C18H21Cl2N2O2+ — CID 8008987

IUPAC[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[NH+](C)C)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(2)17(12-4-7-14(24-3)8-5-12)11-21-18(23)15-9-6-13(19)10-16(15)20/h4-10,17H,11H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1
InChIKeyJGYHJIROZNPXIW-QGZVFWFLSA-O
MW368.28 g/mol
LogP2.62
Rot. Bonds6

About [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 8008987) has the molecular formula C18H21Cl2N2O2+ and a molecular weight of 368.28 g/mol. Its IUPAC name is [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID8008987
Molecular FormulaC18H21Cl2N2O2+
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[NH+](C)C)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(2)17(12-4-7-14(24-3)8-5-12)11-21-18(23)15-9-6-13(19)10-16(15)20/h4-10,17H,11H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1
InChIKeyJGYHJIROZNPXIW-QGZVFWFLSA-O
XLogP2.62
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
[(1S)-2-[(2,5-dichlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495893
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
[(1S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8771402
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
[(1R)-2-[(2-chloro-4-nitrobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496069
2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110291126

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (CID 8008987) is [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[NH+](C)C)cc1.
What is the InChIKey of [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is JGYHJIROZNPXIW-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-22(2)17(12-4-7-14(24-3)8-5-12)11-21-18(23)15-9-6-13(19)10-16(15)20/h4-10,17H,11H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1.
What are the key properties of [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 368.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 8008987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).