2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide

C21H17Cl2NO3 — CID 17130832

IUPAC2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-17(18(23)14-15)21(25)24-19-8-4-5-9-20(19)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25)
InChIKeyRYLPIARIFVEVNF-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.70
Rot. Bonds7

About 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide

2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17130832) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17130832
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Name2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-17(18(23)14-15)21(25)24-19-8-4-5-9-20(19)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25)
InChIKeyRYLPIARIFVEVNF-UHFFFAOYSA-N
XLogP5.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide (CID 17130832) is 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide is O=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is RYLPIARIFVEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-15-10-11-17(18(23)14-15)21(25)24-19-8-4-5-9-20(19)27-13-12-26-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 402.28 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17130832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).