5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide

C12H15Cl2NO3 — CID 114297830

IUPAC5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCOCCCl
InChIInChI=1S/C12H15Cl2NO3/c1-17-11-3-2-9(14)8-10(11)12(16)15-5-7-18-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyOCLNROFFOCUXQC-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.33
Rot. Bonds7

About 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide (PubChem CID 114297830) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
PubChem CID114297830
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCOCCCl
InChIInChI=1S/C12H15Cl2NO3/c1-17-11-3-2-9(14)8-10(11)12(16)15-5-7-18-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyOCLNROFFOCUXQC-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-nitrobenzamide
CID 114297884
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide (CID 114297830) is 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCOCCCl.
What is the InChIKey of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide?
The InChIKey is OCLNROFFOCUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-17-11-3-2-9(14)8-10(11)12(16)15-5-7-18-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide has a molecular weight of 292.16 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 114297830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).