3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium

C19H23Cl2N2O2+ — CID 8815091

IUPAC3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)10-4-9-22-19(24)15-5-3-6-16(12-15)25-13-14-7-8-17(20)18(21)11-14/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,22,24)/p+1
InChIKeyUYQZBFNLQQISBR-UHFFFAOYSA-O
MW382.31 g/mol
LogP2.84
Rot. Bonds8

About 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium

3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium (PubChem CID 8815091) has the molecular formula C19H23Cl2N2O2+ and a molecular weight of 382.31 g/mol. Its IUPAC name is 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
PubChem CID8815091
Molecular FormulaC19H23Cl2N2O2+
Molecular Weight382.31 g/mol
Exact Mass381.11
IUPAC Name3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)10-4-9-22-19(24)15-5-3-6-16(12-15)25-13-14-7-8-17(20)18(21)11-14/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,22,24)/p+1
InChIKeyUYQZBFNLQQISBR-UHFFFAOYSA-O
XLogP2.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327741

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium (CID 8815091) is 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium is C[NH+](C)CCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium?
The InChIKey is UYQZBFNLQQISBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-23(2)10-4-9-22-19(24)15-5-3-6-16(12-15)25-13-14-7-8-17(20)18(21)11-14/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,22,24)/p+1.
What are the key properties of 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium?
3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium has a molecular weight of 382.31 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 8815091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).