[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium

C19H25ClN3O+ — CID 7495923

IUPAC[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+](C)C)cc1
InChIInChI=1S/C19H24ClN3O/c1-22(2)17-10-8-14(9-11-17)18(23(3)4)13-21-19(24)15-6-5-7-16(20)12-15/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyQKRXDVYJZMDPQW-SFHVURJKSA-O
MW346.88 g/mol
LogP2.02
Rot. Bonds6

About [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium

[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium (PubChem CID 7495923) has the molecular formula C19H25ClN3O+ and a molecular weight of 346.88 g/mol. Its IUPAC name is [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
PubChem CID7495923
Molecular FormulaC19H25ClN3O+
Molecular Weight346.88 g/mol
Exact Mass346.17
IUPAC Name[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+](C)C)cc1
InChIInChI=1S/C19H24ClN3O/c1-22(2)17-10-8-14(9-11-17)18(23(3)4)13-21-19(24)15-6-5-7-16(20)12-15/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyQKRXDVYJZMDPQW-SFHVURJKSA-O
XLogP2.02
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495921
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(3-methylbenzoyl)amino]ethyl]-dimethylazanium
CID 7496063
[(1S)-2-[(2,5-dichlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495893
[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
CID 7496036
[(1S)-2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7192147
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
[(1S)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-1-carbonylamino)ethyl]-dimethylazanium
CID 7496006
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 7495970
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
[(1R)-2-[(2-chloro-4-nitrobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496069
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium (CID 7495923) is [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium is CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium?
The InChIKey is QKRXDVYJZMDPQW-SFHVURJKSA-O. The full InChI is InChI=1S/C19H24ClN3O/c1-22(2)17-10-8-14(9-11-17)18(23(3)4)13-21-19(24)15-6-5-7-16(20)12-15/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1.
What are the key properties of [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium?
[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium has a molecular weight of 346.88 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium is sourced from PubChem (CID 7495923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).