4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride

C14H20ClNO5 — CID 102159784

IUPAC4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
SMILESCOCCOCCOCCOc1cc(N)ccc1C(=O)Cl
InChIInChI=1S/C14H20ClNO5/c1-18-4-5-19-6-7-20-8-9-21-13-10-11(16)2-3-12(13)14(15)17/h2-3,10H,4-9,16H2,1H3
InChIKeyXOMBGEWJCFMJQR-UHFFFAOYSA-N
MW317.77 g/mol
LogP1.71
Rot. Bonds11

About 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride

4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride (PubChem CID 102159784) has the molecular formula C14H20ClNO5 and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride.

Molecular Properties

Compound Name4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
PubChem CID102159784
Molecular FormulaC14H20ClNO5
Molecular Weight317.77 g/mol
Exact Mass317.10
IUPAC Name4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
SMILESCOCCOCCOCCOc1cc(N)ccc1C(=O)Cl
InChIInChI=1S/C14H20ClNO5/c1-18-4-5-19-6-7-20-8-9-21-13-10-11(16)2-3-12(13)14(15)17/h2-3,10H,4-9,16H2,1H3
InChIKeyXOMBGEWJCFMJQR-UHFFFAOYSA-N
XLogP1.71
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
4-amino-2-[2-(2-methylpropoxy)ethoxy]benzoic acid
CID 106448425
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
CID 10981850
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitrobenzoyl chloride
CID 71417509
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
CID 159595440
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride?
The IUPAC name of 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride (CID 102159784) is 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride.
What is the SMILES notation for 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride?
The canonical SMILES for 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride is COCCOCCOCCOc1cc(N)ccc1C(=O)Cl.
What is the InChIKey of 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride?
The InChIKey is XOMBGEWJCFMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO5/c1-18-4-5-19-6-7-20-8-9-21-13-10-11(16)2-3-12(13)14(15)17/h2-3,10H,4-9,16H2,1H3.
What are the key properties of 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride?
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride has a molecular weight of 317.77 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride is sourced from PubChem (CID 102159784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).