5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide

C12H17ClN2O4 — CID 107198154

IUPAC5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCOCCOCCOc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O4/c1-17-2-3-18-4-5-19-11-9(12(15)16)6-8(14)7-10(11)13/h6-7H,2-5,14H2,1H3,(H2,15,16)
InChIKeyVHYZNBAVTAHKAJ-UHFFFAOYSA-N
MW288.73 g/mol
LogP1.06
Rot. Bonds8

About 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide

5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide (PubChem CID 107198154) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
PubChem CID107198154
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC Name5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCOCCOCCOc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O4/c1-17-2-3-18-4-5-19-11-9(12(15)16)6-8(14)7-10(11)13/h6-7H,2-5,14H2,1H3,(H2,15,16)
InChIKeyVHYZNBAVTAHKAJ-UHFFFAOYSA-N
XLogP1.06
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
5-amino-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
5-amino-3-chloro-2-(3-hydroxypropoxy)benzoic acid
CID 107197581
5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
CID 107198027
3-(4-amino-2,6-dichlorophenoxy)propanamide
CID 43169605
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
5-amino-3-chloro-2-pentan-2-yloxybenzamide
CID 107198235
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
CID 107197723
5-amino-2,3-dichlorobenzamide
CID 107183127
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide (CID 107198154) is 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide is COCCOCCOc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The InChIKey is VHYZNBAVTAHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c1-17-2-3-18-4-5-19-11-9(12(15)16)6-8(14)7-10(11)13/h6-7H,2-5,14H2,1H3,(H2,15,16).
What are the key properties of 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide has a molecular weight of 288.73 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide is sourced from PubChem (CID 107198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).