3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

C13H19Cl2N3O2 — CID 62845335

IUPAC3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O2/c1-18(5-6-20-2)4-3-17-13(19)9-7-10(14)12(15)11(16)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19)
InChIKeySDTCEZXBZHABDP-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.88
Rot. Bonds7

About 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (PubChem CID 62845335) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
PubChem CID62845335
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O2/c1-18(5-6-20-2)4-3-17-13(19)9-7-10(14)12(15)11(16)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19)
InChIKeySDTCEZXBZHABDP-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (CID 62845335) is 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is COCCN(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The InChIKey is SDTCEZXBZHABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2/c1-18(5-6-20-2)4-3-17-13(19)9-7-10(14)12(15)11(16)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide has a molecular weight of 320.22 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 62845335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).